CHEBI:65669 - crassolide

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ChEBI Name crassolide
ChEBI ID CHEBI:65669
Definition A cembrane diterpenoid isolated from Lobophytum michaelae and has been shown to exhibit cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H34O9
Net Charge 0
Average Mass 490.54280
Monoisotopic Mass 490.22028
InChI InChI=1S/C26H34O9/c1-13-8-10-19(31-16(4)27)14(2)9-11-21(33-18(6)29)26(7)24(35-26)23-22(15(3)25(30)34-23)20(12-13)32-17(5)28/h8-9,19-24H,3,10-12H2,1-2,4-7H3/b13-8+,14-9+/t19-,20+,21+,22+,23-,24-,26-/m0/s1
InChIKey OBGWQFODBKAPHA-DHJPSPATSA-N
SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O
Metabolite of Species Details
Lobophytum michaelae (WORMS:288797) See: PubMed
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing crassolide (CHEBI:65669) has role antineoplastic agent (CHEBI:35610)
crassolide (CHEBI:65669) has role metabolite (CHEBI:25212)
crassolide (CHEBI:65669) is a γ-lactone (CHEBI:37581)
crassolide (CHEBI:65669) is a acetate ester (CHEBI:47622)
crassolide (CHEBI:65669) is a cembrane diterpenoid (CHEBI:60687)
crassolide (CHEBI:65669) is a epoxide (CHEBI:32955)
crassolide (CHEBI:65669) is a macrocycle (CHEBI:51026)
IUPAC Name
(1aS,1bS,4aR,5R,7E,10S,11E,14R,14aS)-7,11,14a-trimethyl-4-methylidene-3-oxo-1a,1b,3,4,4a,5,6,9,10,13,14,14a-dodecahydrooxireno[13,14]cyclotetradeca[1,2-b]furan-5,10,14-triyl triacetate
Registry Numbers Types Sources
11101582 Reaxys Registry Number Reaxys
66656-91-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11141104 PubMed citation Europe PMC
1360492 PubMed citation Europe PMC
17473465 PubMed citation Europe PMC
20732044 PubMed citation Europe PMC
Last Modified
31 July 2013