ChEBI

CHEBI:69279 - 2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol

ChEBI Name 2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol ChEBI ID CHEBI:69279 Definition A natural product found in Coscinoderma species. Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H46O2 Net Charge 0 Average Mass 450.69570 Monoisotopic Mass 450.34978 InChI InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12+/t27-,29-,31+/m0/s1 InChIKey FBBXOWQBMFRXRO-PGGDNBTOSA-N SMILES [H][C@@]12CC=C(C)[C@H](C\C=C(/C)CCC\C(C)=C\Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C Metabolite of Species Details Coscinoderma (NCBI:txid1162776) Methanol and methylene dichloride extract of lyophilized and macerated sponge See: PubMed Roles Classification Biological Role(s): metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via 2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol (CHEBI:69279) has role metabolite (CHEBI:25212) 2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol (CHEBI:69279) is a sesterterpenoid (CHEBI:26660) Citation Type Source 21827183 PubMed citation Europe PMC Last Modified 22 September 2014

General Comment 2014-10-17 Suggested Classification: ISA:hydroquinones(CHEBI:24646); ISA:organic heterocyclic compound(CHEBI:24532); ISA:aromatic alcohol(CHEBI:33854);