Rhapontigenin
precursor
Showing entry for Rhapontigenin
Identification
- PhytoHub ID
- PHUB000327
- Name
- Rhapontigenin
- Systematic Name
- Not Available
- Synonyms
- 3,3′,5′-Trihydroxy-4-methoxystilbene
- RHA
- CAS Number
- Not Available
- Average Mass
- 258.273
- Monoisotopic Mass
- 258.089208931
- Chemical Formula
- C15H14O4
- IUPAC Name
- rhapontigenin
- InChI Key
- PHMHDRYYFAYWEG-NSCUHMNNSA-N
- InChI Identifier
InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
- SMILES
[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC(O)=C(OC)C=C1
- Structure
Structure for Rhapontigenin
Calculated Properties
- Solubility (ALOGPS)
- 4.82e-02 g/l
- LogS (ALOGPS)
- -3.73
- LogP (ALOGPS)
- 2.64
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 69.92
- Refractivity
- 73.91870000000002
- Polarizability
- 27.519496068488582
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.888843867498496
- pKa (strongest acidic)
- 8.575874343536256
- 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 | |
|---|---|---|---|---|
| Piceatannol | 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", "Alkyl aryl ethers", "Anisoles", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "Phenoxy compounds", "Resorcinols", "Styrenes"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Benzenoid", "Ether", "Hydrocarbon derivative", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenol ether", "Phenoxy compound", "Resorcinol", "Stilbene", "Styrene"]
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Garden rhubarb | Vegetables, Other vegetables | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Rhapontigenin | rhapontigenin glucuronide | in vitro (rat) rat | liver, plasma | host metabolism | Not Available | Not Available | C21H22O10 | 434.1213 | Publications | ||||
| Piceatannol | Rhapontigenin | rat | plasma, urine | host metabolism | Not Available | Not Available | C15H14O4 | 258.089208931 | Publications |
Inter-Individual Variations Metabolism
No inter-individual variations available