CHEBI:69012 - cneorin-NP36

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ChEBI Name cneorin-NP36
ChEBI ID CHEBI:69012
ChEBI ASCII Name cneorin-NP36
Definition A tirucallane terpenoid isolated from Dysoxylum lenticellatum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H46O3
Net Charge 0
Average Mass 454.68440
Monoisotopic Mass 454.34470
InChI InChI=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
InChIKey AQUMMBMETGRMAU-LQJOTZTKSA-N
SMILES C[C@@H]([C@@H]1O[C@@H]1C1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Metabolite of Species Details
Dysoxylum lenticellatum (IPNI:578201-1) Found in twig (BTO:0001411). 95% Ethanolic extract of air-dried, powdered leaves and twigs. See: PubMed
Dysoxylum lenticellatum (IPNI:578201-1) Found in leaf (BTO:0000713). 95% Ethanolic extract of air-dried, powdered leaves and twigs. See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-one ChEBI
Registry Number Type Source
6540956 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21954912 PubMed citation Europe PMC
Last Modified
01 October 2014