CHEBI:67312 - 17-defurano-17-oxosalannin

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ChEBI Name 17-defurano-17-oxosalannin ChEBI ID CHEBI:67312 Definition A limonoid that is salannin in which the furanyl group at position 17 is replaced by an oxo group. Isolated from Azadirachta indica, it exhibits anti-inflammatory activity. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H40O9 Net Charge 0 Average Mass 544.63320 Monoisotopic Mass 544.26723 InChI InChI=1S/C30H40O9/c1-9-14(2)27(34)39-21-12-20(37-16(4)31)28(5)13-36-24-25(28)29(21,6)19(11-22(33)35-8)30(7)23-15(3)17(32)10-18(23)38-26(24)30/h9,18-21,24-26H,10-13H2,1-8H3/b14-9+/t18-,19-,20-,21+,24-,25+,26-,28-,29+,30-/m1/s1 InChIKey LGQIDAUSKKGKHE-RYKSROFQSA-N SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3CC(=O)C(C)=C23)[C@@H]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3OC(C)=O)OC(=O)C(\C)=C\C Metabolite of Species Details Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). n-Hexane extract of seeds See: PubMed Roles Classification Application(s): anti-inflammatory agent Any compound that has anti-inflammatory effects. View more via ChEBI Ontology ChEBI Ontology Outgoing 17-defurano-17-oxosalannin (CHEBI:67312) has functional parent salannin (CHEBI:67309) 17-defurano-17-oxosalannin (CHEBI:67312) has functional parent tiglic acid (CHEBI:9592) 17-defurano-17-oxosalannin (CHEBI:67312) has role anti-inflammatory agent (CHEBI:67079) 17-defurano-17-oxosalannin (CHEBI:67312) is a acetate ester (CHEBI:47622) 17-defurano-17-oxosalannin (CHEBI:67312) is a cyclic terpene ketone (CHEBI:36130) 17-defurano-17-oxosalannin (CHEBI:67312) is a enone (CHEBI:51689) 17-defurano-17-oxosalannin (CHEBI:67312) is a limonoid (CHEBI:39434) 17-defurano-17-oxosalannin (CHEBI:67312) is a methyl ester (CHEBI:25248) 17-defurano-17-oxosalannin (CHEBI:67312) is a organic heteropentacyclic compound (CHEBI:38164) IUPAC Name (2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-3-(acetyloxy)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-oxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-bʼcʼ]difuran-5-yl (2E)-2-methylbut-2-enoate Registry Number Type Source 21448582 Reaxys Registry Number Reaxys Citations Types Sources 21263200 PubMed citation Europe PMC 21381696 PubMed citation Europe PMC Last Modified 03 March 2015