Resveratrol (trans-)
precursor
Showing entry for Resveratrol (trans-)
Identification
- PhytoHub ID
- PHUB000324
- Name
- Resveratrol (trans-)
- Systematic Name
- Not Available
- Synonyms
- (E)-resveratrol
- 3,5,4'-Trihydroxystilbene
- CAS Number
- Not Available
- Average Mass
- 228.247
- Monoisotopic Mass
- 228.078644246
- Chemical Formula
- C14H12O3
- IUPAC Name
- 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
- InChI Key
- LUKBXSAWLPMMSZ-OWOJBTEDSA-N
- InChI Identifier
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
- SMILES
OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 6.88e-02 g/l
- LogS (ALOGPS)
- -3.52
- LogP (ALOGPS)
- 2.57
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 60.69
- Refractivity
- 67.45550000000001
- Polarizability
- 24.54619877509881
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -6.178025720766968
- pKa (strongest acidic)
- 8.493489164415605
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 45713
- PubChem
- 445154
- Chemistry Dashboard
- DTXSID4031980
- MetaboLights
- MTBLC45713
- FooDB (Foods)
- FDB031212
- HMDB
- HMDB0003747
- KNApSAcK
- C00002903
- PeakForestCompound
- 000284
Taxonomy as Precursor
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- Not Available
- Metabolite Class
- Not Available
- Metabolite Sub-class
- Not Available
Taxonomy of its Precursor(s)
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Piceid (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Pinosylvin | Polyphenols | Stilbenes | Not Available | Show Precursor |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Stilbenes
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Stilbenes
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
- External Descriptor Annotations
- ["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "resveratrol"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene", "Styrene"]
Spectra from Online Resources
Record ID | Source | Description | View |
---|---|---|---|
BML00641 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00673 | MassBank | LC-ESI-QTOF Spectrum - 10 ev, unspecified | View Spectra |
BML00681 | MassBank | LC-ESI-QTOF Spectrum - 20 ev, unspecified | View Spectra |
BML00689 | MassBank | LC-ESI-QTOF Spectrum - 40 ev, unspecified | View Spectra |
BML82055 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
BML82056 | MassBank | LC-ESI-QTOF Spectrum - -, unspecified | View Spectra |
CE000093 | MassBank | LC-ESI-ITFT Spectrum - 35eV, unspecified | View Spectra |
CE000094 | MassBank | LC-ESI-ITFT Spectrum - 45eV, unspecified | View Spectra |
CE000095 | MassBank | LC-ESI-ITFT Spectrum - 55eV, unspecified | View Spectra |
CE000096 | MassBank | LC-ESI-ITFT Spectrum - 70eV, unspecified | View Spectra |
CE000097 | MassBank | LC-ESI-ITFT Spectrum - -, unspecified | View Spectra |
PB000641 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
PB000642 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
PB000643 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
PB000661 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
PB002421 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
PB002422 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
PB002423 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
PB002424 | MassBank | LC-ESI-QTOF Spectrum - 55 eV, unspecified | View Spectra |
PB003661 | MassBank | LC-ESI-QQ Spectrum - 20 eV, unspecified | View Spectra |
PB003662 | MassBank | LC-ESI-QQ Spectrum - 25 eV, unspecified | View Spectra |
PB006261 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
PB006262 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
PB006263 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
Food Sources
Food Sources of its Precursor(s)
Metabolism
Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Resveratrol (trans-) | Piceatannol | in vitro (human) | lymphoblast | host metabolism | Not Available | Not Available | Not Available | C14H12O4 | 244.073558866 | Publications | |||
Resveratrol (trans-) | Piceid (trans-) | A. denitrificans - NCTR 774 (in vitro) B. cereus - NCTR 466 (in vitro) E. coli - ATCC 47004 (in vitro) human zebrafish | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H22O8 | 390.131467668 | Publications | |||
Resveratrol (trans-) | Resveratrol (cis-) | pig zebrafish | blood, cerebellum, colon tissue, colorectal tissue, duodenum tissue, ileum tissue, jejunum tissue, LDL, plasma, stomach, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol | B. uniformis - ATCC 8492 (in vitro) E. lenta - ATCC 43055 (in vitro) human in vitro (human) pig rat | colon tissue, colorectal tissue, faeces, ileum tissue, liver, plasma, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O3 | 230.094294311 | Publications | |||
Resveratrol (trans-) | trans-Resveratrol 3-O-glucuronide | human in vitro (human) in vitro (rat) mouse pig rat wolf zebrafish | adipose tissue, aorta tissue, cerebellum, colon tissue, colorectal tissue, duodenum tissue, heart, hepatocytes, ileum tissue, kidneys, LDL, liver, plasma, stomach, urinary bladder, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.110732224 | Publications | |||
Resveratrol (trans-) | trans-Resveratrol 3-O-sulfate | B. bassiana - ATCC 9480 (in vitro) human in vitro (human) in vitro (rat) mouse P. chrysogenium - ATCC 9480 (in vitro) rat wolf | adipose tissue, colorectal tissue, faeces, hepatocytes, kidneys, LDL, liver, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.03545928 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol-3-O-glucuronide | pig | aorta tissue, bile, cerebellum, colon tissue, colorectal tissue, duodenum tissue, heart, ileum tissue, jejunum tissue, kidneys, liver, lymph, lymphatic node, mesenteric fat, muscle, ovaries, perineal fat, plasma, spleen, stomach, subctuaneous fat, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C20H22O9 | 406.126382288 | Publications | |||
Resveratrol (trans-) | trans-resveratrol-5-O-glucuronide | rat | urine | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.110732224 | Publications | |||
Resveratrol (trans-) | trans-Resveratrol-4′-O-glucuronide | human pig zebrafish | colorectal tissue, LDL, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.110732224 | Publications | |||
Resveratrol (trans-) | resveratrol-4′-O-sulfate | human rat | adipose tissue, colorectal tissue, faeces, liver, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.03545928 | Publications | |||
Resveratrol (trans-) | resveratrol sulfoglucuronide | human pig | bile, cerebellum, colorectal tissue, duodenum tissue, ileum tissue, jejunum tissue, kidneys, liver, ovaries, pancreas, plasma, stomach, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O12S | 484.068 | Publications | |||
Resveratrol (trans-) | trans-Resveratrol-3,5-disulfate | rat | faeces, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O9S2 | 387.992274314 | Publications | |||
Resveratrol (trans-) | trans-Resveratrol-3,4′-disulfate | rat | faeces, liver, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O9S2 | 387.992274314 | Publications | |||
Resveratrol (trans-) | trans-Resveratrol-3,4′,5-trisulfate | pig rat | bile, cerebellum, duodenum tissue, heart, ileum tissue, jejunum tissue, liver, lungs, ovaries, perineal fat, plasma, stomach, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O12S3 | 467.949089348 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol-trisulfate | pig | bile, ileum tissue, jejunum tissue, urine | host metabolism | Not Available | Not Available | Not Available | C14H14O12S3 | 469.965 | Publications | |||
Resveratrol (trans-) | Resveratrol ribosyl sulfate | pig | bile, ileum tissue, urine | host metabolism | Not Available | Not Available | Not Available | C19H20O10S | 440.078 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol-3,5-diglucuronide | pig | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C26H30O15 | 582.158470266 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol-sulfoglucuronide | pig | bile, jejunum tissue, liver, pancreas, uterus | gut microbiota metabolite | Not Available | Not Available | Not Available | C20H22O12S | 486.083 | Publications | |||
Resveratrol (trans-) | 5-methoxyresveratrol-3-O-β-glucoside | B. bassiana - ATCC 9480 (in vitro) | Not Available | host metabolism | Not Available | Not Available | Not Available | C21H24O8 | 404.147117733 | Publications | |||
Resveratrol (trans-) | 5-methoxyresveratrol-3-O-sulphate | P. chrysogenium - ATCC 9480 (in vitro) | Not Available | host metabolism | Not Available | Not Available | Not Available | C15H14O6S | 322.051109345 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol-disulfate | pig | bile, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O9S2 | 390.007924379 | Publications | |||
Resveratrol (trans-) | Resveratrol-glucoside-phosphate-glycerol | B. cereus - NCTR 466 (in vitro) | Not Available | host metabolism | Not Available | Not Available | Not Available | C23H29O13P | 544.134577992 | Publications | |||
Resveratrol (trans-) | Piceid-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C26H30O14 | 566.164 | Publications | |||
Resveratrol (trans-) | Piceid-sulfate | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H22O11S | 470.088 | Publications | |||
Resveratrol (trans-) | resveratrol-glucoside-phosphate | B. cereus - NCTR 466 (in vitro) K. pneumoniae - ATCC 13883 (in vitro) | Not Available | host metabolism | Not Available | Not Available | Not Available | C20H23O11P | 470.097798559 | Publications | |||
Resveratrol (trans-) | Lunularine | human in vitro (human) rat | faeces, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O2 | 214.099379691 | Publications | |||
Resveratrol (trans-) | 3,4'-dihydroxy-trans-stilbene | human in vitro (human) | faeces, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H12O2 | 212.083729626 | Publications | |||
Resveratrol (trans-) | cis-Resveratrol-3-sulfate | human rat | adipose tissue, LDL, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.03545928 | Publications | |||
Resveratrol (trans-) | cis-Resveratrol-4'-sulfate | human | LDL, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.03545928 | Publications | |||
Resveratrol (trans-) | cis-Resveratrol-3-O-glucuronide | human in vitro (human) | hepatocytes, LDL, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.110732224 | Publications | |||
Resveratrol (trans-) | cis-Resveratrol-4'-O-glucuronide | human rat | LDL, liver, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.110732224 | Publications | |||
Resveratrol (trans-) | Resveratroloside | A. denitrificans - NCTR 774 (in vitro) B. cereus - NCTR 466 (in vitro) E. coli - ATCC 47004 (in vitro) human | LDL | host metabolism | Not Available | Not Available | Not Available | C20H22O8 | 390.131467668 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol sulfate | human pig rat | adipose tissue, aorta tissue, bile, cerebellum, colon tissue, colorectal tissue, duodenum tissue, heart, ileum tissue, jejunum tissue, kidneys, liver, lungs, lymph, lymphatic node, mesenteric fat, muscle, ovaries, perineal fat, plasma, red blood cells, spleen, stomach, urinary bladder, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O6S | 310.0511 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol-glucuronide | human rat | adipose tissue, liver, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C20H22O9 | 406.1264 | Publications | |||
Resveratrol (trans-) | trans-resveratrol-4'-O-β-sulfate | human | LDL, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.03545928 | Publications | |||
Resveratrol (trans-) | Resveratrol disulfate | human pig | bile, colorectal tissue, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O9S2 | 387.992 | Publications | |||
Resveratrol (trans-) | resveratrol glucuronide | pig rat | bile, duodenum tissue, ileum tissue, jejunum tissue, kidneys, liver, lungs, plasma, testis, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.111 | Publications | |||
Resveratrol (trans-) | resveratrol sulfate | human pig rat zebrafish | aorta tissue, bile, brain, cerebellum, cerebrospinal fluid, colon tissue, colorectal tissue, duodenum tissue, heart, ileum tissue, intestine, jejunum tissue, kidneys, liver, lungs, lymph, lymphatic node, mesenteric fat, muscle, ovaries, pancreas, perineal fat, plasma, red blood cells, spleen, stomach, subctuaneous fat, testis, urinary bladder, urine, uterus, white blood cells | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.035 | Publications | |||
Piceid (trans-) | Resveratrol (trans-) | in vitro (human) in vitro (rat) rat zebrafish | Caco-2 cells, gut microbiota, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | |||
Pinosylvin | Resveratrol (trans-) | rat | plasma | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available