dinochrome A (CHEBI:65797)

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CHEBI:65797 - dinochrome A

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ChEBI ID	CHEBI:65797
ChEBI Name	dinochrome A
Stars
Definition	A carotenoid that is 6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-β,β-carotene substituted by acetyloxy group at position 3' and hydroxy groups at positions 3 and 5' respectively. Isolated from the fresh water red tide Peridinium bipes, it has been found to inhibit proliferation of human malignant tumor cells, such as GOTO, OST and HeLa cells.
Last Modified	14 January 2013
Downloads	Molfile

Formula	C42H58O5
Net Charge	0
Average Mass	642.921
Monoisotopic Mass	642.42842
SMILES	[H][C@]1(/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C2C(C)(C)C[C@H](OC(C)=O)C[C@@]2(C)O)C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1
InChI	InChI=1S/C42H58O5/c1-29(18-14-19-31(3)22-23-37-40(8,9)27-35(46-33(5)43)28-41(37,10)45)16-12-13-17-30(2)20-15-21-32(4)36-24-38-39(6,7)25-34(44)26-42(38,11)47-36/h12-22,24,34-36,44-45H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,36+,41+,42+/m0/s1
InChIKey	KXMXJSVCINTGDB-KQKVKUFESA-N

Species of Metabolite	Component	Source	Comments
Peridinium bipes (ncbitaxon:2868)	-	PubMed (12499607)

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)
	dinochrome A (CHEBI:65797) has role antineoplastic agent (CHEBI:35610)
	dinochrome A (CHEBI:65797) has role metabolite (CHEBI:25212)
	dinochrome A (CHEBI:65797) is a acetate ester (CHEBI:47622)
	dinochrome A (CHEBI:65797) is a allenes (CHEBI:37602)
	dinochrome A (CHEBI:65797) is a carotenoid (CHEBI:23044)
	dinochrome A (CHEBI:65797) is a cyclic ether (CHEBI:37407)
	dinochrome A (CHEBI:65797) is a secondary alcohol (CHEBI:35681)
	dinochrome A (CHEBI:65797) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
(3S,3'S,5R,5'R,6'R,8R,8'R,9cis)-3,5'-dihydroxy-6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-β,β-caroten-3'-yl acetate

Synonym	Source
(3S,5R,6R,3'S,5'R,8'R)-5',8'-epoxy-6,7-didehydro-5,6,5',8'-tetrahydro-β,β- carotene-3,5,39-triol 3-O-acetate	ChEBI

Manual Xrefs	Databases
8207673	ChemSpider

Registry Numbers	Sources
Reaxys:9311649	Reaxys

Citations