Molecular Identity
Gossypol
7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
PubChem CID: 3503
Gossypol is an aldehyde, a hydroxynaphthalene, a polyphenol and a hexol. It has a role as an antispermatogenic agent, an anti-inflammatory agent and a plant metabolite.
2D Structure
Properties
C30H30O8
Molecular Formula
518.60
Molecular Weight
g/mol
518.1941
Exact Mass
Da
6.9
XLogP
Above Lipinski threshold
156
TPSA
May have limited oral absorption
6
H-Bond Donors
8
H-Bond Acceptors
780
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)OIsomeric SMILES
SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)OSynonyms(20)
gossypol303-45-7PogosinTash 1No FertilDTXSID5023110(+-)-Gossypol7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehydeBL 193CCRIS 2689NSC 624336NSC56817NSC 56817NSC-56817NSC-624336
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gossypol
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