Dihydroformononetin
Showing entry for Dihydroformononetin
Identification
- PhytoHub ID
- PHUB001364
- Name
- Dihydroformononetin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 270.28
- Monoisotopic Mass
- 270.089208936
- Chemical Formula
- C16H14O4
- IUPAC Name
- dihydroformononetin
- InChI Key
- INYISIYHXQDCPK-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
- SMILES
COC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 8.44e-02 g/l
- LogS (ALOGPS)
- -3.51
- LogP (ALOGPS)
- 3.01
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 55.760000000000005
- Refractivity
- 74.1779
- Polarizability
- 27.789397238488775
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.562453771114429
- pKa (strongest acidic)
- 7.783726759495664
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Formononetin | Polyphenols | Flavonoids | Isoflavones | Show Precursor |
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Formononetin | Dihydroformononetin | human | urine | C16H14O4 | 270.089208936 | Publications |
Dihydroformononetin