DAIDZEIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6287WC5J2L

Structure
InChI Key ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Smile O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
InChI
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O4
Molecular Weight 254.24
AlogP 2.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 70.67
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- - - 100000 -
Enzyme Hydrolase
- 26600-46800 - - 0
Enzyme Lyase
- - - 4 -
Enzyme Oxidoreductase
- 14000-14000 - - 10-59
Enzyme Transferase
- 7300 - - -
Enzyme
- 26600-46800 - 100000 10-59
Epigenetic regulator Writer Protein methyltransferase SET domain
- - - - 5-14
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 12000-12000 - - -
Secreted protein
- 16000 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- 450-17000 5900 1800 17
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
- 303-2800 5900 300 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 1-104
Unclassified protein
- - - - 6-43

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis 2 D010024 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 28197
ChEMBL CHEMBL8145
DrugBank DB13182
EPA CompTox DTXSID9022310
FDA SRS 6287WC5J2L
Human Metabolome Database HMDB0003312
Guide to Pharmacology 2828
KEGG C10208
PubChem 5281708
SureChEMBL SCHEMBL19814
ZINC ZINC000018847034
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