Resveratrol (cis-)
precursor
Showing entry for Resveratrol (cis-)
Identification
- PhytoHub ID
- PHUB000335
- Name
- Resveratrol (cis-)
- Systematic Name
- Not Available
- Synonyms
- (Z)-resveratrol
- cis-3,4',5-trihydroxystilbene
- CAS Number
- Not Available
- Average Mass
- 228.247
- Monoisotopic Mass
- 228.078644246
- Chemical Formula
- C14H12O3
- IUPAC Name
- 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
- InChI Key
- LUKBXSAWLPMMSZ-UPHRSURJSA-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
[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1
- Structure
Structure for Resveratrol (cis-)
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
- 23.64697428169282
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.678025720766968
- pKa (strongest acidic)
- 8.993489164415603
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
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 | |
|---|---|---|---|---|
| Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
| Piceid (cis-) | 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
- ["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
| 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 (cis-) | Piceid (cis-) | human zebrafish | LDL, 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 | |||
| Piceid (cis-) | Resveratrol (cis-) | zebrafish | Not Available | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | |||
| Pinosylvin | Resveratrol (cis-) | rat | plasma | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications |
Inter-Individual Variations Metabolism
No inter-individual variations available