Methyl 18-(acetyloxymethyl)-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate
| Internal ID | ff95eff0-e8d2-46a6-affe-895d79f4d551 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | methyl 18-(acetyloxymethyl)-19-hydroxy-14-methyl-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)COC(=O)C)C(=O)OC |
| SMILES (Isomeric) | CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(CCC1C62O)COC(=O)C)C(=O)OC |
| InChI | InChI=1S/C25H35NO5/c1-14-11-26-12-17-6-4-16-5-7-18-19(22(28)30-3)10-24(21(16)18)23(17,13-31-15(2)27)9-8-20(14)25(24,26)29/h14,17-20,29H,4-13H2,1-3H3 |
| InChI Key | SSBBDAORPHDCOF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H35NO5 |
| Molecular Weight | 429.50 g/mol |
| Exact Mass | 429.25152322 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of Methyl 18-(acetyloxymethyl)-19-hydroxy-14-methyl-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/b5264f80-84a1-11ee-9c67-ff00a20cd983.jpg "2D Structure of Methyl 18-(acetyloxymethyl)-19-hydroxy-14-methyl-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 | 99.46% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.54% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.74% | 85.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.17% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.01% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.29% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.01% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.92% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.80% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.25% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.28% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.88% | 89.05% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.79% | 96.95% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 82.62% | 91.65% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 81.89% | 98.57% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.83% | 82.69% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.38% | 95.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.03% | 94.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.59% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.28% | 96.90% |
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.
| Daphniphyllum calycinum |
| Daphniphyllum glaucescens |
| PubChem | 72787095 |
| LOTUS | LTS0075869 |
| wikiData | Q105259566 |