glyceollin III

Synonyms: "(2S,6aS,11aS)-2-(prop-1-en-2-yl)-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene-6a,9(11aH)-diol"

Source: glyceollin III is a glyceollin, a type of pterocarpan, found in the soybean.

Identifiers:

IUPAC Name: (2S,6aS,11aS)-2-(prop-1-en-2-yl)-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene-6a,9(11aH)-diol
CAS Number: 61080-23-7
PubChem ID: 11954193
InChiKey: MIYTVBARXCVVHZ-RYGJVYDSSA-N
Canonical SMILES: CC(=C)C1CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O

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

Downloads

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

Search Similar molecules

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.