CHEBI:28584 - gossypol

ChEBI IDCHEBI:28584
ChEBI Namegossypol
Stars
Secondary ChEBI IDsCHEBI:5526, CHEBI:24427
Last Modified12 July 2024
DownloadsMolfile
FormulaC30H30O8
Net Charge0
Average Mass518.562
Monoisotopic Mass518.19407
SMILES[H]C(=O)c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C([H])=O)c4c3O)c(O)c12
InChIInChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
InChIKeyQBKSWRVVCFFDOT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antispermatogenic agent  An agent that destroy spermatozoa in the male genitalia and block spermatogenesis.
ChEBI Ontology
Outgoing Relation(s)
gossypol (CHEBI:28584) has role anti-inflammatory agent (CHEBI:67079)
gossypol (CHEBI:28584) has role antispermatogenic agent (CHEBI:145047)
gossypol (CHEBI:28584) has role plant metabolite (CHEBI:76924)
gossypol (CHEBI:28584) is a aldehyde (CHEBI:17478)
gossypol (CHEBI:28584) is a hexol (CHEBI:37206)
gossypol (CHEBI:28584) is a hydroxynaphthalene (CHEBI:24727)
gossypol (CHEBI:28584) is a polyphenol (CHEBI:26195)
IUPAC Name 
1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde
Synonyms  Source
1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'-binaphthyl-8,8'-dialdehydeChEBI
1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarboxaldehydeChEBI
1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehydeChEBI
gosipolDrugCentral
1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl[2,2'-binaphthalene]-8,8'-dicarboxaldehydeChEBI
1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehydeChEBI
Manual XrefsDatabases
C07667KEGG COMPOUND
C00003136KNApSAcK
LSM-6229LINCS
1328DrugCentral
FDB000742FooDB
LMPR0103330002LIPID MAPS
DB13044DrugBank
CPD-9526MetaCyc
GO3PDBeChem
GossypolWikipedia
Registry NumbersSources
CAS:303-45-7KEGG COMPOUND
Citations