CHEBI:70267 - aglaiabbreviatin F

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ChEBI Name aglaiabbreviatin F
ChEBI ID CHEBI:70267
Definition A tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H54O5
Net Charge 0
Average Mass 518.76820
Monoisotopic Mass 518.39712
InChI InChI=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
InChIKey DHINOQSEHVSVIQ-XWYOUNHXSA-N
SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@@](C)(O)C\C=C\C(C)(C)OO)C1(C)C
Metabolite of Species Details
Aglaia abbreviata (IPNI:576946-1) Found in stem (BTO:0001300). 95% ethanolic extract of air-dried stems See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
21155751 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21087017 PubMed citation Europe PMC
Last Modified
10 January 2022