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CHEBI:66686 - maytenfolone A

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
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