glyceollin II

Synonyms: "(-)-glyceollin II"

Source: glyceollin II is found in fats and oils.

Identifiers:

IUPAC Name: (7S,12aS)-3,3-dimethyl-3H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromene-7a,10(12aH)-diol
CAS Number: 67314-98-1
PubChem ID: 181883
InChiKey: DDJVLBCETGUEBO-AZUAARDMSA-N
Canonical SMILES: CC1(C=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O)C

Structural Properties:

Molecular Formula: C₂₀H₁₈O₅
Molecular Weight: 338.354

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 25

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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.