CHEBI:65670 - crassumolide A

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ChEBI Name crassumolide A
ChEBI ID CHEBI:65670
Definition A cembrane diterpenoid isolated from the soft coral Lobophytum crassum and shown to have anti-inflammatory and antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H28O3
Net Charge 0
Average Mass 316.43450
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-13-6-5-7-14(2)10-17(21)11-15(3)12-19-18(9-8-13)16(4)20(22)23-19/h7-8,11,17-19,21H,4-6,9-10,12H2,1-3H3/b13-8+,14-7+,15-11+/t17-,18+,19-/m0/s1
InChIKey BIDNFRVXQJTBCI-XXYAPWOQSA-N
SMILES [H][C@]12C\C(C)=C\[C@@H](O)C\C(C)=C\CC\C(C)=C\C[C@]1([H])C(=C)C(=O)O2
Metabolite of Species Details
Lobophytum crassum (NCBI:txid328265) See: PubMed
Roles Classification
Biological Role(s): coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing crassumolide A (CHEBI:65670) has role anti-inflammatory agent (CHEBI:67079)
crassumolide A (CHEBI:65670) has role antineoplastic agent (CHEBI:35610)
crassumolide A (CHEBI:65670) has role coral metabolite (CHEBI:76498)
crassumolide A (CHEBI:65670) is a γ-lactone (CHEBI:37581)
crassumolide A (CHEBI:65670) is a cembrane diterpenoid (CHEBI:60687)
crassumolide A (CHEBI:65670) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3aR,5E,9E,12S,13E,15aS)-12-hydroxy-6,10,14-trimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2(3H)-one
Registry Number Type Source
19388419 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18973388 PubMed citation Europe PMC
Last Modified
27 November 2013