CHEBI:67299 - 7-deacetyl-17-epinimolicinol

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ChEBI Name 7-deacetyl-17-epinimolicinol
ChEBI ID CHEBI:67299
Definition A limonoid found in Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H32O6
Net Charge 0
Average Mass 440.52870
Monoisotopic Mass 440.21989
InChI InChI=1S/C26H32O6/c1-22(2)17-12-20(28)25(5)16(23(17,3)9-7-19(22)27)6-10-24(4)18(25)13-21(29)32-26(24,30)15-8-11-31-14-15/h7-9,11,13-14,16-17,20,28,30H,6,10,12H2,1-5H3/t16-,17+,20-,23-,24-,25-,26+/m1/s1
InChIKey KBHQRXUIHKRZTP-GRSHXKAVSA-N
SMILES CC1(C)[C@@H]2C[C@@H](O)[C@]3(C)[C@H](CC[C@]4(C)C3=CC(=O)O[C@@]4(O)c3ccoc3)[C@@]2(C)C=CC1=O
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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 7-deacetyl-17-epinimolicinol (CHEBI:67299) has role metabolite (CHEBI:25212)
7-deacetyl-17-epinimolicinol (CHEBI:67299) has role plant metabolite (CHEBI:76924)
7-deacetyl-17-epinimolicinol (CHEBI:67299) is a δ-lactone (CHEBI:18946)
7-deacetyl-17-epinimolicinol (CHEBI:67299) is a cyclic terpene ketone (CHEBI:36130)
7-deacetyl-17-epinimolicinol (CHEBI:67299) is a enone (CHEBI:51689)
7-deacetyl-17-epinimolicinol (CHEBI:67299) is a furans (CHEBI:24129)
7-deacetyl-17-epinimolicinol (CHEBI:67299) is a limonoid (CHEBI:39434)
7-deacetyl-17-epinimolicinol (CHEBI:67299) is a secondary alcohol (CHEBI:35681)
7-deacetyl-17-epinimolicinol (CHEBI:67299) is a tertiary alcohol (CHEBI:26878)
7-deacetyl-17-epinimolicinol (CHEBI:67299) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1,5-dihydroxy-4b,7,7,10a,12a-pentamethyl-5,6,6a,10a,10b,11,12,12a-octahydro-1H-naphtho[2,1-f]isochromene-3,8(4bH,7H)-dione
Registry Numbers Types Sources
1281766-59-3 CAS Registry Number Reaxys
21448573 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
19 November 2013