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CHEBI:66602 - lychnostatin 2

ChEBI IDCHEBI:66602
ChEBI Namelychnostatin 2
Stars
DefinitionA germacranolide isolated from Lychnophora antillana and has been shown to exhibit antineoplastic activity.
Last Modified26 March 2013
DownloadsMolfile
FormulaC21H28O7
Net Charge0
Average Mass392.448
Monoisotopic Mass392.18350
SMILES[H][C@@]12C[C@@H](C)CCC(=O)[C@](C)(OC(C)=O)C[C@H](OC(=O)C(=C)C)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C21H28O7/c1-11(2)19(24)27-16-10-21(6,28-14(5)22)17(23)8-7-12(3)9-15-18(16)13(4)20(25)26-15/h12,15-16,18H,1,4,7-10H2,2-3,5-6H3/t12-,15+,16-,18-,21+/m0/s1
InChIKeyHBRKQMNFEIZZOU-AGKHZPTMSA-N
Species of MetaboliteComponentSourceComments
Lychnophora antillana (ncbitaxon:41601)
leaf (BTO:0000713) PubMed (2380713)
stem (BTO:0001300) PubMed (2380713)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
lychnostatin 2 (CHEBI:66602) has role antineoplastic agent (CHEBI:35610)
lychnostatin 2 (CHEBI:66602) has role metabolite (CHEBI:25212)
lychnostatin 2 (CHEBI:66602) is a acetate ester (CHEBI:47622)
lychnostatin 2 (CHEBI:66602) is a cyclic ketone (CHEBI:3992)
lychnostatin 2 (CHEBI:66602) is a germacranolide (CHEBI:73011)
IUPAC Name 
(3aS,4S,6R,10S,11aR)-6-(acetyloxy)-6,10-dimethyl-3-methylidene-2,7-dioxododecahydrocyclodeca[b]furan-4-yl 2-methylprop-2-enoate
Registry NumbersSources
CAS:128700-84-5ChemIDplus
Citations