Genistin
precursor
Showing entry for Genistin
Identification
- PhytoHub ID
- PHUB000226
- Name
- Genistin
- Systematic Name
- Not Available
- Synonyms
- 5,7,4'-Trihydroxyisoflavone 7-O-glucoside
- Genistein 7-O-glucoside
- CAS Number
- Not Available
- Average Mass
- 432.381
- Monoisotopic Mass
- 432.105646844
- Chemical Formula
- C21H20O10
- IUPAC Name
- genistin
- InChI Key
- ZCOLJUOHXJRHDI-CMWLGVBASA-N
- InChI Identifier
InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
- SMILES
OC[[email protected]]1O[[email protected]@H](OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O
- Structure
Structure for Genistin
Calculated Properties
- Solubility (ALOGPS)
- 1.01e+00 g/l
- LogS (ALOGPS)
- -2.63
- LogP (ALOGPS)
- 0.68
- Hydrogen Acceptors
- 10
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 4
- Polar Surface Area
- 166.14000000000001
- Refractivity
- 103.82730000000002
- Polarizability
- 42.05922629610282
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.981092343758667
- pKa (strongest acidic)
- 7.2729960770884
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 27514
- PubChem
- 5281377
- Chemistry Dashboard
- DTXSID3022324
- Phenol-Explorer
- 404
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Isoflavones
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
No metabolism information available