EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69012 - cneorin-NP36

ChEBI IDCHEBI:69012
ChEBI Namecneorin-NP36
Stars
ASCII Namecneorin-NP36
DefinitionA tirucallane terpenoid isolated from Dysoxylum lenticellatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@]1([C@]2([H])OC2(C)C)O[C@@]1([H])[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C
InChIInChI=1S/C30H46O3/c1-17(23-24(32-23)25-27(4,5)33-25)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25H,10-16H2,1-8H3/t17-,18+,19+,21+,23+,24+,25+,28-,29+,30-/m1/s1
InChIKeyAQUMMBMETGRMAU-LQJOTZTKSA-N
Species of MetaboliteComponentSourceComments
Dysoxylum lenticellatum (IPNI:578201-1)
twig (BTO:0001411) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
leaf (BTO:0000713) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
cneorin-NP36 (CHEBI:69012) has role plant metabolite (CHEBI:76924)
cneorin-NP36 (CHEBI:69012) is a cyclic terpene ketone (CHEBI:36130)
cneorin-NP36 (CHEBI:69012) is a epoxide (CHEBI:32955)
cneorin-NP36 (CHEBI:69012) is a tirucallane triterpenoid (CHEBI:83211)
Synonym  Source
(13α,14β,17α,20R,22S,23S,24S)-22,23:24,25-diepoxylanost-7-en-3-oneChEBI
Registry NumbersSources
Reaxys:6540956Reaxys
Citations