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 Food Phytochemical
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Stilbene metabolites
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
| Piceid (cis-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
| Pinosylvin | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
| Resveratrol (cis-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
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 from Phytohub
| Spectrum Type | Instrument Type | Technology | Ion Mode | Collision Energy | View | |
|---|---|---|---|---|---|---|
| GC-MS | GC-MS | Not Available | Not Available | Not Available | View Spectrum | |
| GC-MS | GC-MS | Not Available | Not Available | Not Available | View Spectrum | |
| Predicted GC-MS | GC-MS | Predicted by CFMID-EI, energy0 | Positive | Not Available | View Spectrum | |
| Predicted GC-MS | GC-MS | Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C=C1) | Positive | Not Available | View Spectrum | |
| Predicted GC-MS | GC-MS | Predicted by CFMID-EI, energy0 | Ei | Not Available | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 6V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 6V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 10V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 10V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 50V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 30V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 30V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 50V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 10V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 10V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 10V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 10V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 6V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 30V | View Spectrum | |
| LC-MS/MS | Not Available | Not Available | Positive | 50V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 10V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 20V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 40V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 10V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 20V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 40V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 10V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 20V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 40V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Positive | 10V | View Spectrum |
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | 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 (cis-) | Resveratrol (cis-) | human | plasma | unchanged | 1h-3h | 50-200 nmol/L | Not Available | C14H12O3 | 228.078644246 | Publications | |||
| Resveratrol (cis-) | cis-Resveratrol-3-sulfate | human | urine | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.03545928 | Publications | |||
| Resveratrol (cis-) | cis-Resveratrol-4'-sulfate | human | urine | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.03545928 | Publications | |||
| Resveratrol (cis-) | cis-Resveratrol-3-O-glucuronide | human | plasma, urine | host metabolism | 1h-3h | 200-500 nmol/L | Not Available | C20H20O9 | 404.110732224 | Publications | |||
| Resveratrol (cis-) | cis-Resveratrol-4'-O-glucuronide | human | plasma, urine | host metabolism | 1h-3h | 50-200 nmol/L | Not Available | C20H20O9 | 404.110732224 | 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 in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|