Compound Description
| ID: C0684 | Common name: Aconitine |
| IUPAC: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate | CAS: CAS:302-27-2 |
| Chembl ID: CHEMBL1979562 | Pubchem ID: CID:245005 |
| Formula: C34H47NO11 | TCM-ID: TCMC3748 |
| Smiles: COC[C@@]12C[NH+](CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC | |
| Alias:
2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine-4,8,9,11,11a(1H,7H)-pentol, 1-ethyldecahydro-6,10,13-trimethoxy-3-(methoxymethyl)-, 11a-acetate 8-benzoate;
Aconitine; 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv. |
Structure:
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Related Targets (Total: 1)
| Target id | Protein Name | Gene Symbol | Uniprot ID | Target Level | No.of Literature Evidence |
|---|---|---|---|---|---|
| T43SM9 | Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | PPARGC1A |
Q9UBK2 |
C | 1 Reference(s) |
*In this table, target level represents the quality confidence indicators of targets.
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".
Related Herbs (Total: 1)
| Herb id | Chinese Pin Yin | Chinese Character | English Name | Latin Name |
|---|---|---|---|---|
| H0884 | Chuan Wu | 川乌 | root of common monkshood | Radix aconiti |
Ckey description of the interaction between compound and target