CHEBI:67281 - nimbocinol

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ChEBI Name nimbocinol
ChEBI ID CHEBI:67281
Definition A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by a oxo groups at positions 3 and 16, a hydroxy group at position 7 and a furan-3-yl group at position 17. It has been isolated from Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H32O4
Net Charge 0
Average Mass 408.52990
Monoisotopic Mass 408.23006
InChI InChI=1S/C26H32O4/c1-23(2)18-13-21(29)26(5)17(24(18,3)10-7-20(23)28)6-9-25(4)19(26)12-16(27)22(25)15-8-11-30-14-15/h7-8,10-12,14,17-18,21-22,29H,6,9,13H2,1-5H3/t17-,18+,21-,22-,24-,25-,26-/m1/s1
InChIKey BAMHPKTZTBFUOH-WWBRISJOSA-N
SMILES C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]3(C)C1=CC(=O)[C@H]2c1ccoc1
Metabolite of Species Details
Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). n-Hexane 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 nimbocinol (CHEBI:67281) has role plant metabolite (CHEBI:76924)
nimbocinol (CHEBI:67281) is a cyclic terpene ketone (CHEBI:36130)
nimbocinol (CHEBI:67281) is a furans (CHEBI:24129)
nimbocinol (CHEBI:67281) is a limonoid (CHEBI:39434)
nimbocinol (CHEBI:67281) is a tetracyclic triterpenoid (CHEBI:26893)
Incoming 7-benzoylnimbocinol (CHEBI:67282) has functional parent nimbocinol (CHEBI:67281)
IUPAC Name
(5α,7α,13α,17α)-17-(furan-3-yl)-7-hydroxy-4,4,8-trimethylandrosta-1,14-diene-3,16-dione
Registry Number Type Source
6447097 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19551731 PubMed citation Europe PMC
21381696 PubMed citation Europe PMC
Last Modified
09 January 2014