2,3-Dihydrobiochanin A
Showing entry for 2,3-Dihydrobiochanin A
Identification
- PhytoHub ID
- PHUB001361
- Name
- 2,3-Dihydrobiochanin A
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 286.283
- Monoisotopic Mass
- 286.084123551
- Chemical Formula
- C16H14O5
- IUPAC Name
- 5,7-dihydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
- InChI Key
- XPZQBSCTDLGDBP-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3
- SMILES
COC1=CC=C(C=C1)C1COC2=C(C(O)=CC(O)=C2)C1=O
- Structure
Structure for 2,3-Dihydrobiochanin A
Calculated Properties
- Solubility (ALOGPS)
- 9.91e-02 g/l
- LogS (ALOGPS)
- -3.46
- LogP (ALOGPS)
- 2.92
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 75.99000000000001
- Refractivity
- 76.15880000000001
- Polarizability
- 28.63218148075554
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.567069058524732
- pKa (strongest acidic)
- 7.8509311825442545
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 15712
- PubChem
- 439784
- Chemistry Dashboard
- DTXSID00331442
- MetaboLights
- MTBLC15712
- Phenol-Explorer
- 860
- FooDB (Compounds)
- FDB029973
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Flavonoid metabolites
- Sub-class
- Isoflavones (parent, host and microbial metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Biochanin A | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Biochanin A | Chickpea | Pulses and beans | Show | ||
| Biochanin A | Red clover | Pulses and beans | Publications | Show |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Biochanin A | 2,3-Dihydrobiochanin A | human | plasma, urine | gut microbiota metabolite | 12h-24h | 50-200 nmol/L | Not Available | C16H14O5 | 286.084123551 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|