coumestrol

Synonyms: "cumoestrol", "cumostrol", "coumesterol", "cumoesterol", "3,9-dihydroxycoumestan", "7,12-dihydroxycoumestan"

Source: coumestrol is a member of the isoflavonoid family, a plant-derived compound with estrogen-like structure and actions. It occurs naturally in soybeans, spinach, and clover.

Identifiers:

IUPAC Name: 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CAS Number: 479-13-0
PubChem ID: 5281707
InChiKey: ZZIALNLLNHEQPJ-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O

Structural Properties:

Molecular Formula: C₁₅H₈O₅
Molecular Weight: 268.221

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 20

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

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

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.