CHEBI:66601 - lychnostatin 1

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ChEBI Name lychnostatin 1
ChEBI ID CHEBI:66601
Definition A germacranolide isolated from Lychnophora antillana and has been shown to exhibit antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28O8
Net Charge 0
Average Mass 408.44220
Monoisotopic Mass 408.17842
InChI InChI=1S/C21H28O8/c1-10(2)19(25)27-14-9-21(6,29-13(5)22)15(23)8-7-11(3)17(24)18-16(14)12(4)20(26)28-18/h11,14,16-18,24H,1,4,7-9H2,2-3,5-6H3/t11-,14-,16+,17-,18-,21+/m0/s1
InChIKey OLFNVRXCVQOTPN-ZBTOSGMISA-N
SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](C[C@@](C)(OC(C)=O)C(=O)CC[C@H](C)[C@@H]2O)OC(=O)C(C)=C
Metabolite of Species Details
Lychnophora antillana (NCBI:txid41601) Found in leaf (BTO:0000713). See: PubMed
Lychnophora antillana (NCBI:txid41601) Found in stem (BTO:0001300). 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 lychnostatin 1 (CHEBI:66601) has role antineoplastic agent (CHEBI:35610)
lychnostatin 1 (CHEBI:66601) has role metabolite (CHEBI:25212)
lychnostatin 1 (CHEBI:66601) is a acetate ester (CHEBI:47622)
lychnostatin 1 (CHEBI:66601) is a cyclic ketone (CHEBI:3992)
lychnostatin 1 (CHEBI:66601) is a germacranolide (CHEBI:73011)
lychnostatin 1 (CHEBI:66601) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)-11-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxododecahydrocyclodeca[b]furan-4-yl 2-methylprop-2-enoate
Synonym Source
2-propenoic acid, 2-methyl-, (3aR,4S,6R,10S,11S,11aS)-6-(acetyloxy)dodecahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester ChemIDplus
Registry Number Type Source
128700-83-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
2380713 PubMed citation Europe PMC
Last Modified
26 March 2013