CHEBI:67298 - nimolicinol

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ChEBI Name nimolicinol
ChEBI ID CHEBI:67298
Definition A limonoid found in Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H34O7
Net Charge 0
Average Mass 482.56540
Monoisotopic Mass 482.23045
InChI InChI=1S/C28H34O7/c1-16(29)34-22-13-19-24(2,3)21(30)8-10-25(19,4)18-7-11-26(5)20(27(18,22)6)14-23(31)35-28(26,32)17-9-12-33-15-17/h8-10,12,14-15,18-19,22,32H,7,11,13H2,1-6H3/t18-,19+,22-,25-,26-,27-,28-/m1/s1
InChIKey VXKRRVRNHBWLTO-VBPYNQNZSA-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)C(=CC(=O)O[C@]3(O)c3ccoc3)[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 nimolicinol (CHEBI:67298) has role plant metabolite (CHEBI:76924)
nimolicinol (CHEBI:67298) is a δ-lactone (CHEBI:18946)
nimolicinol (CHEBI:67298) is a acetate ester (CHEBI:47622)
nimolicinol (CHEBI:67298) is a cyclic terpene ketone (CHEBI:36130)
nimolicinol (CHEBI:67298) is a enone (CHEBI:51689)
nimolicinol (CHEBI:67298) is a furans (CHEBI:24129)
nimolicinol (CHEBI:67298) is a limonoid (CHEBI:39434)
nimolicinol (CHEBI:67298) is a tertiary alcohol (CHEBI:26878)
nimolicinol (CHEBI:67298) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl acetate
Registry Number Type Source
9235734 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12193026 PubMed citation Europe PMC
19551731 PubMed citation Europe PMC
21381696 PubMed citation Europe PMC
Last Modified
09 January 2014