CHEBI:132344 - celastolide

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ChEBI Name celastolide
Definition A hexacyclic triterpenoid with formula C30H46O5, originally isolated from Tripterygium hypoglaucum.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C30H46O5
Net Charge 0
Average Mass 486.684
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-18-22(31)35-24-30(18)9-7-19-27(4,20(30)8-16-34-24)13-15-29(6)21-17-26(3,23(32)33)11-10-25(21,2)12-14-28(19,29)5/h18-21,24H,7-17H2,1-6H3,(H,32,33)/t18-,19-,20-,21+,24-,25+,26+,27+,28+,29-,30-/m0/s1
SMILES [C@]12([C@]([C@]3([C@@](CC1)(CC[C@](C3)(C(=O)O)C)C)[H])(CC[C@@]4([C@@]2(CC[C@]56[C@]4(CCO[C@]5(OC([C@@H]6C)=O)[H])[H])[H])C)C)C
Metabolite of Species Details
Tripterygium hypoglaucum (NCBI:txid205465) See: Duan, H., Kawazoe, K., Bando, M., Kido, M., Takaishi, Y. (1997) Di- and triterpenoids from Tripterygium hypoglaucum. Phytochemistry 46, 535-543.
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 celastolide (CHEBI:132344) has role plant metabolite (CHEBI:76924)
celastolide (CHEBI:132344) is a γ-lactone (CHEBI:37581)
celastolide (CHEBI:132344) is a hexacyclic triterpenoid (CHEBI:70994)
celastolide (CHEBI:132344) is a monocarboxylic acid (CHEBI:25384)
celastolide (CHEBI:132344) is a organic heterohexacyclic compound (CHEBI:51914)
(3aS,6R,6aR,8aS,8bR,10aS,13R,14aR,14bS,16aR,16bS)-6,8b,10a,13,14b,16a-hexamethyl-5-oxoicosahydro-2H,3aH-chryseno[2,1-c]furo[2,3-b]pyran-13-carboxylic acid
Synonym Source
celastoside ChEBI
Registry Number Type Source
7837734 Reaxys Registry Number Reaxys
Last Modified
24 October 2016