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CHEBI:7609 - nomilin
| Formula | C28H34O9 |
| Net Charge | 0 |
| Average Mass | 514.571 |
| Monoisotopic Mass | 514.22028 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C |
| InChI | 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Citrus maxima (ncbitaxon:37334) | - | PubMed (25212475) | Species also known as Citrus grandis. |
| Citrus limettioides (ncbitaxon:200542) | - | PubMed (38088731) | |
| Citrus junos (ncbitaxon:135197) | - | PubMed (33991286) | Isolated from the peel. |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. anti-obesity agent Any substance which is used to reduce or control weight. pregnane X receptor agonist An agonist that selectively binds to and activates a pregnane X receptor. immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. anti-HIV-1 agent An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. skin lightening agent Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin. hypoglycemic agent A drug which lowers the blood glucose level. anti-inflammatory agent Any compound that has anti-inflammatory effects. angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nomilin (CHEBI:7609) has role angiogenesis inhibitor (CHEBI:48422) |
| nomilin (CHEBI:7609) has role anti-HIV-1 agent (CHEBI:64947) |
| nomilin (CHEBI:7609) has role anti-inflammatory agent (CHEBI:67079) |
| nomilin (CHEBI:7609) has role anti-obesity agent (CHEBI:74518) |
| nomilin (CHEBI:7609) has role antineoplastic agent (CHEBI:35610) |
| nomilin (CHEBI:7609) has role antioxidant (CHEBI:22586) |
| nomilin (CHEBI:7609) has role apoptosis inducer (CHEBI:68495) |
| nomilin (CHEBI:7609) has role geroprotector (CHEBI:176497) |
| nomilin (CHEBI:7609) has role hypoglycemic agent (CHEBI:35526) |
| nomilin (CHEBI:7609) has role immunomodulator (CHEBI:50846) |
| nomilin (CHEBI:7609) has role plant metabolite (CHEBI:76924) |
| nomilin (CHEBI:7609) has role pregnane X receptor agonist (CHEBI:77318) |
| nomilin (CHEBI:7609) has role skin lightening agent (CHEBI:85046) |
| nomilin (CHEBI:7609) is a acetate ester (CHEBI:47622) |
| nomilin (CHEBI:7609) is a epoxide (CHEBI:32955) |
| nomilin (CHEBI:7609) is a furans (CHEBI:24129) |
| nomilin (CHEBI:7609) is a lactone (CHEBI:25000) |
| nomilin (CHEBI:7609) is a limonoid (CHEBI:39434) |
| nomilin (CHEBI:7609) is a organic heteropentacyclic compound (CHEBI:38164) |
| nomilin (CHEBI:7609) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| (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 |
| Synonyms | Source |
|---|---|
| nomilin | KEGG COMPOUND |
| (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 | ChEBI |
| 1-(acetyloxy)-1,2-dihydro-obacunoic acid ε-lactone | ChEBI |
| Citations |
|---|