CHEBI:73231 - crispolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
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.
View more via ChEBI Ontology
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 hydroperoxide (CHEBI:35923)
crispolide (CHEBI:73231) is a organic heterotricyclic compound (CHEBI:26979)
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
Manual Xref Database
HMDB0036695 HMDB
View more database links
Registry Numbers Types Sources
7097446 Reaxys Registry Number Reaxys
83217-86-1 CAS Registry Number HMDB
Last Modified
12 July 2013