Identification

PhytoHub ID
PHUB000221
Name
Coumestrol
Synonyms
  • 7,12-Dihydroxycoumestan
  • Chrysanthin
CAS Number
Not Available
Average Mass
268.224
Monoisotopic Mass
268.037173358
Chemical Formula
C15H8O5
IUPAC Name
coumestrol
InChI Key
ZZIALNLLNHEQPJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
SMILES
OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C=C2
Structure

Calculated Properties

Solubility (ALOGPS)
2.81e-01 g/l
LogS (ALOGPS)
-2.98
LogP (ALOGPS)
2.43
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
0
Polar Surface Area
79.9
Refractivity
69.6195
Polarizability
26.40531448424779
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.0531035874613637
pKa (strongest acidic)
7.110949661336945
FreewebChemaxon powered

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

Back