CHEBI:67307 - 28-deoxonimbolide

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ChEBI Name 28-deoxonimbolide
ChEBI ID CHEBI:67307
Definition A limonoid isolated from Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H32O6
Net Charge 0
Average Mass 452.53940
Monoisotopic Mass 452.21989
InChI InChI=1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3/t16-,17-,18-,22-,23+,24-,25+,26+,27-/m1/s1
InChIKey CWGBIWRWBCYASK-LMHNVORZSA-N
SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@@H](c4ccoc4)C(C)=C23)[C@@H]2OC[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 28-deoxonimbolide (CHEBI:67307) has role antineoplastic agent (CHEBI:35610)
28-deoxonimbolide (CHEBI:67307) has role plant metabolite (CHEBI:76924)
28-deoxonimbolide (CHEBI:67307) is a cyclic terpene ketone (CHEBI:36130)
28-deoxonimbolide (CHEBI:67307) is a enone (CHEBI:51689)
28-deoxonimbolide (CHEBI:67307) is a furans (CHEBI:24129)
28-deoxonimbolide (CHEBI:67307) is a limonoid (CHEBI:39434)
28-deoxonimbolide (CHEBI:67307) is a methyl ester (CHEBI:25248)
28-deoxonimbolide (CHEBI:67307) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
methyl [(2aR,5aR,6S,6aR,8R,9aR,10aS,10bR,10cS)-8-(furan-3-yl)-2a,5a,6a,7-tetramethyl-5-oxo-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[d]naphtho[2,3-b:1,8-bʼcʼ]difuran-6-yl]acetate
Registry Numbers Types Sources
126005-94-5 CAS Registry Number ChemIDplus
21448575 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21116775 PubMed citation Europe PMC
21381696 PubMed citation Europe PMC
2614419 PubMed citation Europe PMC
9611828 PubMed citation Europe PMC
Last Modified
03 March 2015