CHEBI:67289 - 7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone

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ChEBI Name 7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone
ChEBI ID CHEBI:67289
Definition A limonoid that is 4,4,8-trimethylandrosta-1,16-diene substituted by a furan-3-yl group at position 17, oxo groups at positions 3 and 15, a hydroxy group at position 16 and an acetoxy group at position 7. It has been isolated from Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H34O6
Net Charge 0
Average Mass 466.56600
Monoisotopic Mass 466.23554
InChI InChI=1S/C28H34O6/c1-15(29)34-20-13-18-25(2,3)19(30)8-11-26(18,4)17-7-10-27(5)21(16-9-12-33-14-16)22(31)23(32)24(27)28(17,20)6/h8-9,11-12,14,17-18,20,24,31H,7,10,13H2,1-6H3/t17-,18+,20-,24-,26-,27+,28+/m1/s1
InChIKey PZGKVFBYHBRVQU-XUODMKIHSA-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@@H](C(=O)C(O)=C3c3ccoc3)[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): 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-acetyl-16,17-dehydro-16-hydroxyneotrichilenone (CHEBI:67289) has role metabolite (CHEBI:25212)
7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone (CHEBI:67289) has role plant metabolite (CHEBI:76924)
7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone (CHEBI:67289) is a acetate ester (CHEBI:47622)
7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone (CHEBI:67289) is a cyclic terpene ketone (CHEBI:36130)
7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone (CHEBI:67289) is a enol (CHEBI:33823)
7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone (CHEBI:67289) is a furans (CHEBI:24129)
7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone (CHEBI:67289) is a limonoid (CHEBI:39434)
7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone (CHEBI:67289) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(5α,7α,13α)-17-(furan-3-yl)-16-hydroxy-4,4,8-trimethyl-3,15-dioxoandrosta-1,16-dien-7-yl acetate
Registry Number Type Source
21448578 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
18 November 2013