methyl (1S,3R,4R,10S,14S,19R)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate
| Internal ID | 40862044-da2e-42c4-b0da-05d689fca9fd |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | methyl (1S,3R,4R,10S,14S,19R)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate |
| SMILES (Canonical) | CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(CCC1C62O)C)C(=O)OC |
| SMILES (Isomeric) | C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@@H](C[C@@]56[C@@]2(C1CCC63C)O)C(=O)OC |
| InChI | InChI=1S/C23H33NO3/c1-13-11-24-12-15-6-4-14-5-7-16-17(20(25)27-3)10-22(19(14)16)21(15,2)9-8-18(13)23(22,24)26/h13,15-18,26H,4-12H2,1-3H3/t13-,15-,16-,17-,18?,21?,22-,23-/m1/s1 |
| InChI Key | OOYPAHLAIJBOOF-ZBDNTTLCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO3 |
| Molecular Weight | 371.50 g/mol |
| Exact Mass | 371.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of methyl (1S,3R,4R,10S,14S,19R)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/0700af40-85ce-11ee-8ad1-5b76fe0763c3.jpg "2D Structure of methyl (1S,3R,4R,10S,14S,19R)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate")
| 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 | 98.87% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.87% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.60% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.95% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.84% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.28% | 91.19% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 86.22% | 94.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.66% | 89.05% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.32% | 95.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.85% | 96.43% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.13% | 94.33% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.46% | 94.78% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.69% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.40% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.87% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.67% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.97% | 95.56% |
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 | 163188387 |
| LOTUS | LTS0223354 |
| wikiData | Q105195832 |