CHEBI:67313 - α-nimolactone

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ChEBI Name α-nimolactone
ChEBI ID CHEBI:67313
ChEBI ASCII Name alpha-nimolactone
Definition A limonoid found in Azadirachta indica.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H30O5
Net Charge 0
Average Mass 386.48130
Monoisotopic Mass 386.20932
InChI InChI=1S/C23H30O5/c1-13(24)27-18-11-15-20(2,3)17(25)8-9-21(15,4)14-7-10-22(5)16(23(14,18)6)12-19(26)28-22/h8-9,12,14-15,18H,7,10-11H2,1-6H3/t14-,15+,18-,21-,22-,23-/m1/s1
InChIKey AJBUFFHLKFFHRG-BYJJUOQFSA-N
SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)OC(=O)C=C3[C@]12C
Metabolite of Species Details
Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). Defatted MeOH extract of seeds 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-nimolactone (CHEBI:67313) has role plant metabolite (CHEBI:76924)
α-nimolactone (CHEBI:67313) is a γ-lactone (CHEBI:37581)
α-nimolactone (CHEBI:67313) is a acetate ester (CHEBI:47622)
α-nimolactone (CHEBI:67313) is a cyclic terpene ketone (CHEBI:36130)
α-nimolactone (CHEBI:67313) is a enone (CHEBI:51689)
α-nimolactone (CHEBI:67313) is a limonoid (CHEBI:39434)
α-nimolactone (CHEBI:67313) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name
(3bR,4R,5aR,9aR,9bR,11aR)-3b,6,6,9a,11a-pentamethyl-2,7-dioxo-2,3b,4,5,5a,6,7,9a,9b,10,11,11a-dodecahydrophenanthro[2,1-b]furan-4-yl acetate
Synonym Source
7α-acetoxy-4,4,8-trimethyl-5α-(13αMe)-17-oxa-androsta-1,14-dien-3,16-dione ChEBI
Registry Number Type Source
5857535 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
09 January 2014