Dihydrogenistein
Showing entry for Dihydrogenistein
Identification
- PhytoHub ID
- PHUB001366
- Name
- Dihydrogenistein
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 272.2528
- Monoisotopic Mass
- 272.068473494
- Chemical Formula
- C15H12O5
- IUPAC Name
- dihydrogenistein
- InChI Key
- UQGVUYNHDKMLSE-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
- SMILES
OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.28e-01 g/l
- LogS (ALOGPS)
- -3.08
- LogP (ALOGPS)
- 2.45
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 1
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 71.67650000000002
- Polarizability
- 26.587664373167307
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.864851377500867
- pKa (strongest acidic)
- 7.8952448344775
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Genistein | 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 | |||
|---|---|---|---|---|---|---|---|---|
| Genistein | Dihydrogenistein | human | urine | C15H12O5 | 272.068473494 | Publications |
Dihydrogenistein