EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H18BrNO3 |
| Net Charge | 0 |
| Average Mass | 412.283 |
| Monoisotopic Mass | 411.04701 |
| SMILES | [H][C@@]12C=CC[C@]1([H])[C@H](c1cc3c(cc1Br)OCO3)Nc1ccc(C(C)=O)cc12 |
| InChI | InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1 |
| InChIKey | VHSVKVWHYFBIFJ-HKZYLEAXSA-N |
| Roles Classification |
|---|
| Biological Roles: | microtubule-destabilising agent Any substance that interacts with tubulin to inhibit polymerisation of microtubules. G-protein-coupled receptor agonist An agonist that binds to and activates G-protein-coupled receptors anti-obesity agent Any substance which is used to reduce or control weight. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| G-1 (CHEBI:156296) has role anti-obesity agent (CHEBI:74518) |
| G-1 (CHEBI:156296) has role antihypertensive agent (CHEBI:35674) |
| G-1 (CHEBI:156296) has role antineoplastic agent (CHEBI:35610) |
| G-1 (CHEBI:156296) has role G-protein-coupled receptor agonist (CHEBI:70998) |
| G-1 (CHEBI:156296) has role microtubule-destabilising agent (CHEBI:61951) |
| G-1 (CHEBI:156296) is a aromatic ketone (CHEBI:76224) |
| G-1 (CHEBI:156296) is a benzodioxole (CHEBI:38733) |
| G-1 (CHEBI:156296) is a methyl ketone (CHEBI:51867) |
| G-1 (CHEBI:156296) is a organic heterotricyclic compound (CHEBI:26979) |
| G-1 (CHEBI:156296) is a organobromine compound (CHEBI:37141) |
| IUPAC Name |
|---|
| 1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone |
| Synonyms | Source |
|---|---|
| G1 | ChEBI |
| G 1 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:881639-98-1 | SUBMITTER |
| Citations |
|---|