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CHEBI:66686 - maytenfolone A

ChEBI IDCHEBI:66686
ChEBI Namemaytenfolone A
Stars
DefinitionA hexacyclic triterpenoid that is a lactone of friedelin. Isolated from Celastrus hindsii, it exhibits anti-HIV and antineoplastic activities.
Last Modified5 April 2013
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILES[H][C@]12CC[C@]3(C)[C@@H](C)C(=O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])C[C@]4(C)CC[C@]3(COC4=O)[C@H](O)C[C@]21C
InChIInChI=1S/C30H46O4/c1-18-19(31)7-8-20-26(18,3)10-9-21-27(20,4)12-13-28(5)22-15-25(2)11-14-30(22,17-34-24(25)33)23(32)16-29(21,28)6/h18,20-23,32H,7-17H2,1-6H3/t18-,20+,21-,22-,23+,25-,26+,27-,28-,29+,30+/m0/s1
InChIKeyBVZOXPCXYRGXKC-RUXXHOCVSA-N
Species of MetaboliteComponentSourceComments
Celastrus hindsii (ncbitaxon:489979) stem (BTO:0001300) PubMed (9115698)
Roles Classification
Biological Roles:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
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)
maytenfolone A (CHEBI:66686) has functional parent friedelin (CHEBI:5171)
maytenfolone A (CHEBI:66686) has role anti-HIV agent (CHEBI:64946)
maytenfolone A (CHEBI:66686) has role antineoplastic agent (CHEBI:35610)
maytenfolone A (CHEBI:66686) has role metabolite (CHEBI:25212)
maytenfolone A (CHEBI:66686) is a bridged compound (CHEBI:35990)
maytenfolone A (CHEBI:66686) is a cyclic terpene ketone (CHEBI:36130)
maytenfolone A (CHEBI:66686) is a hexacyclic triterpenoid (CHEBI:70994)
maytenfolone A (CHEBI:66686) is a secondary alcohol (CHEBI:35681)
maytenfolone A (CHEBI:66686) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2S,5aS,6R,7aR,7bS,9aS,10R,13aS,13bS,15aS,15bS)-6-hydroxy-2,7a,9a,10,13b,15a-hexamethyloctadecahydro-2,5a-ethanochryseno[2,1-c]oxepine-3,11(5H)-dione
Registry NumbersSources
Reaxys:7666520Reaxys
Citations