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CHEBI:65652 - colpol

ChEBI IDCHEBI:65652
ChEBI Namecolpol
Stars
DefinitionAn organobromine compound that is 2-bromobenzene-1,3-diol substituted at position 5 by a (2Z)-4-(4-bromo-2-hydroxy-5-methoxyphenyl)but-2-en-1-yl group. It is isolated from the Red Sea alga Colpomenia sinuosa and exhibits cytotoxicity towards P388, A549, HT-29 and CV-1 tumor cells.
Last Modified13 December 2012
DownloadsMolfile
FormulaC17H16Br2O4
Net Charge0
Average Mass444.119
Monoisotopic Mass441.94153
SMILESCOc1cc(C/C=C\Cc2cc(O)c(Br)c(O)c2)c(O)cc1Br
InChIInChI=1S/C17H16Br2O4/c1-23-16-8-11(13(20)9-12(16)18)5-3-2-4-10-6-14(21)17(19)15(22)7-10/h2-3,6-9,20-22H,4-5H2,1H3/b3-2-
InChIKeyNHRGNEKFTRCLID-IHWYPQMZSA-N
Species of MetaboliteComponentSourceComments
Colpomenia sinuosa (ncbitaxon:87236) - DOI (10.1021/np50097a033)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
colpol (CHEBI:65652) has role antineoplastic agent (CHEBI:35610)
colpol (CHEBI:65652) has role metabolite (CHEBI:25212)
colpol (CHEBI:65652) is a aromatic ether (CHEBI:35618)
colpol (CHEBI:65652) is a organobromine compound (CHEBI:37141)
colpol (CHEBI:65652) is a polyphenol (CHEBI:26195)
IUPAC Name 
2-bromo-5-[(2Z)-4-(4-bromo-2-hydroxy-5-methoxyphenyl)but-2-en-1-yl]benzene-1,3-diol
Manual XrefsDatabases
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