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CHEBI:70267 - aglaiabbreviatin F

ChEBI IDCHEBI:70267
ChEBI Nameaglaiabbreviatin F
Stars
DefinitionA tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata.
Last Modified10 January 2022
DownloadsMolfile
FormulaC32H54O5
Net Charge0
Average Mass518.779
Monoisotopic Mass518.39712
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H54O5/c1-21(33)36-26-15-18-29(6)24(28(26,4)5)14-20-31(8)25(29)12-11-22-23(13-19-30(22,31)7)32(9,34)17-10-16-27(2,3)37-35/h10,16,22-26,34-35H,11-15,17-20H2,1-9H3/b16-10+/t22-,23+,24+,25-,26-,29+,30-,31-,32+/m1/s1
InChIKeyDHINOQSEHVSVIQ-XWYOUNHXSA-N
Species of MetaboliteComponentSourceComments
Aglaia abbreviata (IPNI:576946-1) stem (BTO:0001300) PubMed (21087017) 95% ethanolic extract of air-dried stems
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
aglaiabbreviatin F (CHEBI:70267) has role antineoplastic agent (CHEBI:35610)
aglaiabbreviatin F (CHEBI:70267) has role plant metabolite (CHEBI:76924)
aglaiabbreviatin F (CHEBI:70267) is a acetate ester (CHEBI:47622)
aglaiabbreviatin F (CHEBI:70267) is a peroxol (CHEBI:35924)
aglaiabbreviatin F (CHEBI:70267) is a tertiary alcohol (CHEBI:26878)
aglaiabbreviatin F (CHEBI:70267) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
rel-(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,4E)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Registry NumbersSources
Reaxys:21155751Reaxys
Citations