CHEBI:70271 - ocotillone

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ChEBI Name ocotillone
ChEBI ID CHEBI:70271
Definition A tetracyclic triterpenoid isolated from Aglaia abbreviata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O3
Net Charge 0
Average Mass 458.71620
Monoisotopic Mass 458.37600
InChI InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22-,24-,27+,28-,29-,30+/m1/s1
InChIKey XSQYWMLMQVUWSF-KATWBKOUSA-N
SMILES CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Metabolite of Species Details
Aglaia abbreviata (IPNI:576946-1) Found in stem (BTO:0001300). 95% ethanolic extract of air-dried stems 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 ocotillone (CHEBI:70271) has parent hydride dammarane (CHEBI:36488)
ocotillone (CHEBI:70271) has role plant metabolite (CHEBI:76924)
ocotillone (CHEBI:70271) is a cyclic terpene ketone (CHEBI:36130)
ocotillone (CHEBI:70271) is a oxolanes (CHEBI:26912)
ocotillone (CHEBI:70271) is a tertiary alcohol (CHEBI:26878)
ocotillone (CHEBI:70271) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(24R)-25-hydroxy-20,24-epoxydammaran-3-one
Registry Number Type Source
5307536 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21087017 PubMed citation Europe PMC
Last Modified
01 June 2015