crispolide (CHEBI:73231)

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ChEBI Name	crispolide

ChEBI ID	CHEBI:73231

Definition	An organic heterotricyclic compound that is a hydroperoxysesquiterpene lactone with a modified germacrane skeleton, isolated from the aerial parts of Tanacetum vulgare.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Steve Jupe

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O5

Net Charge

Average Mass

280.31630

Monoisotopic Mass

280.13107

InChI

InChI=1S/C15H20O5/c1-8-10-4-3-9-7-15(2,6-5-11(9)20-18)13(16)12(10)19-14(8)17/h3,10-13,16,18H,1,4-7H2,2H3/b9-3+/t10-,11+,12-,13+,15+/m0/s1

InChIKey

JXXWNBNYEWOORY-KHTYUQOESA-N

SMILES

[H][C@@]12C\C=C3/C[C@@](C)(CC[C@H]3OO)[C@H](O)[C@@]1([H])OC(=O)C2=C

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.

ChEBI Ontology
Outgoing	crispolide (CHEBI:73231) has role metabolite (CHEBI:25212) crispolide (CHEBI:73231) is a γ-lactone (CHEBI:37581) crispolide (CHEBI:73231) is a organic heterotricyclic compound (CHEBI:26979) crispolide (CHEBI:73231) is a peroxol (CHEBI:35924) crispolide (CHEBI:73231) is a secondary alcohol (CHEBI:35681) crispolide (CHEBI:73231) is a sesquiterpene lactone (CHEBI:37667)

IUPAC Name

(3aS,5E,7R,10R,11S,11aS)-7-hydroperoxy-11-hydroxy-10-methyl-3-methylene-3a,4,7,8,9,10,11,11a-octahydro-6,10-methanocyclodeca[b]furan-2(3H)-one

Synonym	Source
(3aS,7R,10R,11S,11aS)-3a,4,7,8,9,10,11,11a-Octahydro-7-hydroperoxy-11-hydroxy-10-methyl-3-methylene-6,10-methanocyclodeca[b]furan-2(3H)-one	SUBMITTER

Last Modified

10 January 2022