daidzein

Synonyms: "daidzeol", "4',7-dihydroxyisoflavone", "7,4'-dihydroxyisoflavone", "isoaurostatin", "diadzein"

Source: daidzein is an isoflavonoid phytoestrogenic compound found in soybeans, pea pods, clover, kudzu, and other legumes.

Identifiers:

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CAS Number: 486-66-8
PubChem ID: 5281708
InChiKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

Structural Properties:

Molecular Formula: C15H10O4
Molecular Weight: 254,2375

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 19

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Kuiper GGJM, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg P, Gustafsson JA. 1998. Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology 139(10):4252-4263.
Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.
Ohlsson A, Ulleras E, Cedergreen N, Oskarsson A. 2010. Mixture effects of dietary flavonoids on steroid hormone synthesis in the human adrenocortical H295R cell line. Food Chem Toxicol 48(11):3194-3200.
Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G. 2004. Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Analytical & Bioanalytical Chemistry 378(3)

External Links

Keywords


2D-structure

3D-structure

Jmol viewer