callophycol A (CHEBI:65565)

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CHEBI:65565 - callophycol A

ChEBI ID	CHEBI:65565
ChEBI Name	callophycol A
Stars
Definition	A dibromophenol that is 2,4-dibromophenol substituted at position 6 by a decahydronaphthalen-1-ylmethyl group which in turn is substituted by a bromo, 3-bromo-4-chloro-4-methylpentyl group, two methyl groups and a methylidene group at positions 6, 5, 5, 8a and 2 respectively. A diterpenoid isolated from the Fijian red alga Callophycus serratus, it exhibits antibacterial, antimalarial and anticancer activities.
Last Modified	3 December 2012
Downloads	Molfile

Formula	C26H35Br4ClO
Net Charge	0
Average Mass	718.634
Monoisotopic Mass	713.91099
SMILES	[H][C@]12CCC(=C)[C@@H](Cc3cc(Br)cc(Br)c3O)[C@]1(C)CC[C@@H](Br)[C@]2(C)CCC(Br)C(C)(C)Cl
InChI	InChI=1S/C26H35Br4ClO/c1-15-6-7-20-25(4,18(15)13-16-12-17(27)14-19(28)23(16)32)10-9-22(30)26(20,5)11-8-21(29)24(2,3)31/h12,14,18,20-22,32H,1,6-11,13H2,2-5H3/t18-,20+,21?,22-,25+,26-/m1/s1
InChIKey	RWUQIKIJRXVZFL-ZSCBFHBVSA-N

Species of Metabolite	Component	Source	Comments
Callophycus serratus (ncbitaxon:632897)	-	PubMed (17715978)

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.

antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.

Applications:

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.

ChEBI Ontology

Outgoing Relation(s)
	callophycol A (CHEBI:65565) has role antibacterial agent (CHEBI:33282)
	callophycol A (CHEBI:65565) has role antimalarial (CHEBI:38068)
	callophycol A (CHEBI:65565) has role antineoplastic agent (CHEBI:35610)
	callophycol A (CHEBI:65565) has role metabolite (CHEBI:25212)
	callophycol A (CHEBI:65565) is a carbobicyclic compound (CHEBI:36785)
	callophycol A (CHEBI:65565) is a dibromophenol (CHEBI:33625)
	callophycol A (CHEBI:65565) is a organochlorine compound (CHEBI:36683)

IUPAC Name
2,4-dibromo-6-{[(1R,4aS,5R,6R,8aS)-6-bromo-5-(3-bromo-4-chloro-4-methylpentyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]methyl}phenol

Manual Xrefs	Databases
27023094	ChemSpider

Registry Numbers	Sources
Reaxys:11167769	Reaxys

Citations