CHEBI:66128 - kadlongilactone A

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ChEBI Name kadlongilactone A
ChEBI ID CHEBI:66128
Definition A hexacyclic triterpenoid isolated from the leaves and stems of Kadsura longipedunculata and has been found to exhibit cytotoxicity aganist human tumour cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H38O6
Net Charge 0
Average Mass 494.61910
Monoisotopic Mass 494.26684
InChI InChI=1S/C30H38O6/c1-15-10-18-11-19-21-13-30(34)12-17-6-9-24(32)36-28(3,4)20(17)7-8-23(30)29(21,5)14-22(31)25(19)16(2)26(18)35-27(15)33/h6,9-10,12,16,18,20-23,26,31,34H,7-8,11,13-14H2,1-5H3/t16-,18+,20+,21-,22+,23-,26-,29+,30+/m0/s1
InChIKey JDOHERDAOGEJFF-ASWXAAPUSA-N
SMILES [H][C@@]12CC3=C([C@H](O)C[C@]4(C)[C@@]3([H])C[C@]3(O)C=C5C=CC(=O)OC(C)(C)[C@]5([H])CC[C@@]43[H])[C@H](C)[C@]1([H])OC(=O)C(C)=C2
Metabolite of Species Details
Kadsura longipedunculata (NCBI:txid124782) Found in stem (BTO:0001300). See: PubMed
Kadsura longipedunculata (NCBI:txid124782) Found in leaf (BTO:0000713). 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 kadlongilactone A (CHEBI:66128) has role antineoplastic agent (CHEBI:35610)
kadlongilactone A (CHEBI:66128) has role metabolite (CHEBI:25212)
kadlongilactone A (CHEBI:66128) is a hexacyclic triterpenoid (CHEBI:70994)
kadlongilactone A (CHEBI:66128) is a secondary alcohol (CHEBI:35681)
kadlongilactone A (CHEBI:66128) is a terpene lactone (CHEBI:37668)
kadlongilactone A (CHEBI:66128) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(4aR,5S,6R,7aR,7bS,9aR,15aS,16aR,17aS)-6,15a-dihydroxy-2,5,7a,10,10-pentamethyl-5,6,7,7a,7b,8,9,9a,10,15a,16,16a,17,17a-tetradecahydro-3H-oxepino[4'',3'':4',5']cyclohepta[1',2':1,2]indeno[4,5-g]chromene-3,12(4aH)-dione
Registry Number Type Source
10223031 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16235962 PubMed citation Europe PMC
Last Modified
15 March 2013