(1S,4R,7R,8R,11R,12S,13R)-1-hydroxy-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
| Internal ID | 6c9d5b1a-dbd7-43f9-98c6-6e566e57d1a9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | (1S,4R,7R,8R,11R,12S,13R)-1-hydroxy-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one |
| SMILES (Canonical) | CC(C)C1C2C3CCC4C3(C(C1OC2=O)(N(C4)C)O)C |
| SMILES (Isomeric) | CC(C)[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@]3([C@]([C@@H]1OC2=O)(N(C4)C)O)C |
| InChI | InChI=1S/C16H25NO3/c1-8(2)11-12-10-6-5-9-7-17(4)16(19,15(9,10)3)13(11)20-14(12)18/h8-13,19H,5-7H2,1-4H3/t9-,10+,11+,12+,13+,15+,16+/m0/s1 |
| InChI Key | UBGSZMFBBQBQGA-ZMMSMNMRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H25NO3 |
| Molecular Weight | 279.37 g/mol |
| Exact Mass | 279.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1S,4R,7R,8R,11R,12S,13R)-1-hydroxy-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/ac195220-8639-11ee-9ef6-136c20a67ec1.jpg "2D Structure of (1S,4R,7R,8R,11R,12S,13R)-1-hydroxy-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.85% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.47% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.14% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.29% | 94.45% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.63% | 93.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.09% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.78% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.00% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.52% | 93.04% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.59% | 98.46% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.55% | 99.23% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.53% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.39% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.96% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.77% | 100.00% |
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.
| Carthamus tinctorius |
| Dendrobium findleyanum |
| PubChem | 162843029 |
| LOTUS | LTS0138480 |
| wikiData | Q105262820 |