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
- 500-65-2
- Average Mass
- 258.273
- Monoisotopic Mass
- 258.089208931
- Chemical Formula
- C15H14O4
- IUPAC Name
- 5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
- 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
O(C1=C(O)C=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1)C
- Structure
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 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 | |
---|---|---|---|---|
Piceatannol | 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", "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 from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found