Identification

PhytoHub ID
PHUB001358
Name
2'-Hydroxydaidzein
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
270.24
Monoisotopic Mass
270.052823422
Chemical Formula
C15H10O5
IUPAC Name
3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one
InChI Key
ZCTNPCRBEWXCGP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
SMILES
OC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.22e-01 g/l
LogS (ALOGPS)
-3.35
LogP (ALOGPS)
3.00
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
86.99000000000001
Refractivity
71.6829
Polarizability
26.55423675198029
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.33753710016622
pKa (strongest acidic)
6.469292865925954
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Isoflavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Isoflav-2-enes
Direct Parent Name
Isoflavones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives", "Resorcinols"]
External Descriptor Annotations
["Isoflavonoids", "a small molecule", "hydroxyisoflavone", "isoflavones"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyisoflavonoid", "Isoflavone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone", "Resorcinol"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Broad beanPulses and beansShow
ChickpeaPulses and beansShow
Common beanPulses and beansShow
Common peaPulses and beansShow
LentilsPulses and beansShow
Soy beanSoy and soy productsShow
Soy milkSoy and soy productsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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