[(1R,2R,4R,10S,11R,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
| Internal ID | c2efefb0-3d02-4b15-b0d9-9abc06f93ff1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,2R,4R,10S,11R,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate |
| SMILES (Canonical) | CC1CC2CC(C3CCCN4C3(C1)C2CC(C4)O)OC(=O)C |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2C[C@H]([C@H]3CCCN4[C@]3(C1)[C@@H]2C[C@H](C4)O)OC(=O)C |
| InChI | InChI=1S/C18H29NO3/c1-11-6-13-7-17(22-12(2)20)15-4-3-5-19-10-14(21)8-16(13)18(15,19)9-11/h11,13-17,21H,3-10H2,1-2H3/t11-,13+,14-,15-,16-,17-,18+/m1/s1 |
| InChI Key | VJYPESGXLGZRPV-KXICBFRUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H29NO3 |
| Molecular Weight | 307.40 g/mol |
| Exact Mass | 307.21474379 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,4R,10S,11R,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/568926a0-858c-11ee-b696-bdc6f38efd67.jpg "2D Structure of [(1R,2R,4R,10S,11R,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.19% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.93% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.17% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.55% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.55% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.92% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.40% | 95.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.29% | 96.77% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.33% | 93.04% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.05% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.95% | 95.89% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.49% | 95.58% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.26% | 92.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.13% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.51% | 98.95% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.23% | 98.33% |
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 | 14589216 |
| LOTUS | LTS0102901 |
| wikiData | Q105287597 |