CHEBI:70133 - Ilimaquinone

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ChEBI Name Ilimaquinone
ChEBI ID CHEBI:70133
Definition A natural product found in Dactylospongia elegans.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.47120
Monoisotopic Mass 358.21441
InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1
InChIKey JJWITJNSXCXULM-YVUMSICPSA-N
SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O
Metabolite of Species Details
Dactylospongia elegans (NCBI:txid1162779) MeOH extract of freeze-dried sponge, isolated as 1:1 mixture of Ilimaquinone & 5-epi-ilimaquinone 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ilimaquinone (CHEBI:70133) has role metabolite (CHEBI:25212)
Ilimaquinone (CHEBI:70133) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
Ilimaquinone (CHEBI:70133) is a prenylquinone (CHEBI:26255)
Synonym Source
3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione ChEBI
Registry Number Type Source
71678-03-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21155589 PubMed citation Europe PMC
Last Modified
03 June 2016
General Comment
2014-10-17 Suggested Classification: ISA:p-quinone(CHEBI:25830); ISA:benzoquinones(CHEBI:22729); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:ether(CHEBI:25698);