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
- cis-resveratrol
- 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
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 |
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
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 | 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 | C14H12O3 | 228.078644246 | Publications | ||||
Piceid (cis-) | Resveratrol (cis-) | zebrafish | Not Available | host metabolism | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | ||||
Pinosylvin | Resveratrol (cis-) | rat | plasma | host metabolism | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications |
Inter-Individual Variations Metabolism
No inter-individual variations available