CHEBI:70135 - Nakijinol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nakijinol B
ChEBI ID CHEBI:70135
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 C22H29NO3
Net Charge 0
Average Mass 355.47060
Monoisotopic Mass 355.21474
InChI InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)11-15-19(25)17(24)10-16-20(15)26-12-23-16/h10,12,14,18,24-25H,1,5-9,11H2,2-4H3/t14-,18+,21+,22+/m0/s1
InChIKey VRCMSDQYPBPHCD-YVUMSICPSA-N
SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(O)cc2ncoc12
Metabolite of Species Details
Dactylospongia elegans (NCBI:txid1162779) Methanolic extract of freeze-dried sponge material 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 Nakijinol B (CHEBI:70135) has role metabolite (CHEBI:25212)
Nakijinol B (CHEBI:70135) is a benzoxazole (CHEBI:46700)
Synonym Source
7-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-1,3-benzoxazole-5,6-diol ChEBI
Citation Waiting for Citations Type Source
21155589 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:catechols(CHEBI:33566); ISA:oxazole(CHEBI:35790); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);