CHEBI:66129 - kadlongilactone B

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ChEBI Name kadlongilactone B
ChEBI ID CHEBI:66129
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 C30H36O6
Net Charge 0
Average Mass 492.60320
Monoisotopic Mass 492.25119
InChI InChI=1S/C30H36O6/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/h6,9-10,12,16,18,20-21,23,26,34H,7-8,11,13-14H2,1-5H3/t16-,18+,20+,21-,23-,26-,29+,30+/m0/s1
InChIKey REUCSCMILGJJCP-SCPJPNRMSA-N
SMILES [H][C@@]12CC3=C([C@H](C)[C@]1([H])OC(=O)C(C)=C2)C(=O)C[C@]1(C)[C@@]3([H])C[C@]2(O)C=C3C=CC(=O)OC(C)(C)[C@]3([H])CC[C@@]12[H]
Metabolite of Species Details
Kadsura longipedunculata (NCBI:txid124782) Found in leaf (BTO:0000713). See: PubMed
Kadsura longipedunculata (NCBI:txid124782) 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 kadlongilactone B (CHEBI:66129) has role antineoplastic agent (CHEBI:35610)
kadlongilactone B (CHEBI:66129) has role metabolite (CHEBI:25212)
kadlongilactone B (CHEBI:66129) is a enone (CHEBI:51689)
kadlongilactone B (CHEBI:66129) is a hexacyclic triterpenoid (CHEBI:70994)
kadlongilactone B (CHEBI:66129) is a terpene lactone (CHEBI:37668)
kadlongilactone B (CHEBI:66129) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(4aR,5S,7aR,7bS,9aR,15aS,16aR,17aS)-15a-hydroxy-2,5,7a,10,10-pentamethyl-4a,5,7,7a,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-3,6,12-trione
Registry Number Type Source
10222094 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16235962 PubMed citation Europe PMC
Last Modified
15 March 2013