Combamide C
| Internal ID | 09953905-acba-4ce2-a95d-442e5f89ad64 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Linear triquinanes |
| IUPAC Name | (3R,6S,8S,9R,10S,11R,13R,15S,16R,17Z,19S,25S)-11-acetyl-10-methyl-21,26-diazahexacyclo[23.2.1.03,19.06,16.08,15.09,13]octacosa-1,4,17-triene-20,27,28-trione |
| SMILES (Canonical) | CC1C(CC2C1C3CC4C=CC5C=C6C(=O)C(CCCNC(=O)C5C=CC4C3C2)NC6=O)C(=O)C |
| SMILES (Isomeric) | C[C@@H]1[C@@H](C[C@@H]2[C@H]1[C@H]3C[C@H]4C=C[C@@H]5C=C6C(=O)[C@H](CCCNC(=O)[C@H]5/C=C\[C@H]4[C@H]3C2)NC6=O)C(=O)C |
| InChI | InChI=1S/C29H36N2O4/c1-14-21(15(2)32)12-18-13-22-19-7-8-20-17(6-5-16(19)10-23(22)26(14)18)11-24-27(33)25(31-29(24)35)4-3-9-30-28(20)34/h5-8,11,14,16-23,25-26H,3-4,9-10,12-13H2,1-2H3,(H,30,34)(H,31,35)/b6-5?,8-7-,24-11?/t14-,16-,17-,18+,19-,20+,21-,22-,23+,25+,26+/m1/s1 |
| InChI Key | RDOYHJYPULHXMH-SOYOGSGJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H36N2O4 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.26750763 g/mol |
| Topological Polar Surface Area (TPSA) | 92.30 Ų |
| XlogP | 3.50 |
| (3R,6S,8S,9R,10S,11R,13R,15S,16R,17Z,19S,25S)-11-acetyl-10-methyl-21,26-diazahexacyclo[23.2.1.03,19.06,16.08,15.09,13]octacosa-1,4,17-triene-20,27,28-trione |
| (3R,6S,8S,9R,10S,11R,13R,15S,16R,17Z,19S,25S)-11-acetyl-10-methyl-21,26-diazahexacyclo(23.2.1.03,19.06,16.08,15.09,13)octacosa-1,4,17-triene-20,27,28-trione |
| RefChem:127571 |
| CHEBI:218952 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.78% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.26% | 97.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.16% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.48% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.04% | 92.94% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.74% | 96.39% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 86.25% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.13% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.07% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.33% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.61% | 93.04% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146684515 |
| LOTUS | LTS0216542 |
| wikiData | Q105234363 |