Term: | nomilin |
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Accession: | CHEBI:7609
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Definition: | A limonoid with formula C28H34O9. It is commonly found in edible citrus fruits including lemons, limes, oranges, and grapefruits. The compound exhibits a variety of biological and pharmacological activities including anticancer, antiinflammatory, antiobesity, and antiviral. |
Synonyms: | exact_synonym: | (5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(furan-3-yl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate |
| related_synonym: | (1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-11-(acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione; 1-(acetyloxy)-1,2-dihydro-obacunoic acid epsilon-lactone; Formula=C28H34O9; InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1; InChIKey=KPDOJFFZKAUIOE-WNGDLQANSA-N; SMILES=[H][C@]12CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]1(C)C(=O)C[C@]1([H])[C@]2(C)[C@H](CC(=O)OC1(C)C)OC(C)=O)C1=COC=C1 |
| xref: | AGR:IND607340705; CAS:1063-77-0; KEGG:C08773; KNApSAcK:C00003722 |
| xref_mesh: | MESH:C059405 |
| xref: | PDBeChem:G3L; PMID:10995325; PMID:14648393; PMID:16719503; PMID:21665879; PMID:21693102; PMID:21839074; PMID:23374727; PMID:25212475; PMID:26544116; PMID:26547535; PMID:2710645; PMID:27135815; PMID:28551013; PMID:28594916; PMID:31093421; PMID:31389456; PMID:32564468; PMID:32633501; PMID:33991286; PMID:35686814; PMID:36139710; PMID:36615463; PMID:37076464; PMID:37291126; PMID:37401768; PMID:38027676; PMID:38088731 |
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