Dihydrodaidzein
Showing entry for Dihydrodaidzein
Identification
- PhytoHub ID
- PHUB001356
- Name
- Dihydrodaidzein
- Synonyms
- 7,4'-dihydroxyisoflavanone
- CAS Number
- Not Available
- Average Mass
- 256.2534
- Monoisotopic Mass
- 256.073558872
- Chemical Formula
- C15H12O4
- IUPAC Name
- (+/-)-dihydrodaidzein
- InChI Key
- JHYXBPPMXZIHKG-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2
- SMILES
OC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.35e-01 g/l
- LogS (ALOGPS)
- -3.28
- LogP (ALOGPS)
- 2.77
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 66.76
- Refractivity
- 69.69560000000001
- Polarizability
- 25.761430116176626
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.9060041662312335
- pKa (strongest acidic)
- 7.775319135909201
External Links
- ChEBI
- 75842
- PubChem
- 176907
- MetaboLights
- MTBLC75842
- Phenol-Explorer
- 861
- Exposome Explorer
- 18
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Daidzein | Polyphenols | Flavonoids | Isoflavones | Show Precursor |
Spectra
No spectra information available
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Daidzein | Dihydrodaidzein | human | urine | C15H12O4 | 256.073558872 | Publications |
Dihydrodaidzein