glyceollin IV

Synonyms: "6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan"

Source: glyceollin IV is found in fats and oils.

Identifiers:

IUPAC Name: 3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-6a,9-diol
CAS Number: n/a
PubChem ID: 5317742
InChiKey: WOKIXZBYDPTMJD-UHFFFAOYSA-N
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1)C3C(CO2)(C4=C(O3)C=C(C=C4)O)O)OC)C

Structural Properties:

Molecular Formula: C₂₁H₂₂O₅
Molecular Weight: 354.396

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 26

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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

Burow ME, Boue SM, Collins-Burow BM, Melnik LI, Duong BN, Carter-Wientjes CH, Li S, Wiese TE, Cleveland TE, McLachlan JA. 2001. Phytochemical glyceollins, isolated from soy, mediate antihormonal effects through estrogen receptor alpha and beta. J Clin Endocrinol Metab 86(4):1750-1758.