methyl (1R,10R,14S,15R,18R,19S)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icosa-3,7(20)-diene-3-carboxylate
| Internal ID | 364c8acf-60a7-4f12-9dcf-abca4cf39f8e |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | methyl (1R,10R,14S,15R,18R,19S)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icosa-3,7(20)-diene-3-carboxylate |
| SMILES (Canonical) | CC1CN2CC3CCC4=C5C(=C(CC56C3(CCC1C62O)C)C(=O)OC)CC4 |
| SMILES (Isomeric) | C[C@@H]1CN2C[C@@H]3CCC4=C5C(=C(C[C@@]56[C@@]3(CC[C@H]1[C@]62O)C)C(=O)OC)CC4 |
| InChI | InChI=1S/C23H31NO3/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+,18-,21-,22+,23+/m1/s1 |
| InChI Key | FVXASYPCGFVDHL-ZPNJXGEYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO3 |
| Molecular Weight | 369.50 g/mol |
| Exact Mass | 369.23039385 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of methyl (1R,10R,14S,15R,18R,19S)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icosa-3,7(20)-diene-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/68fedee0-8630-11ee-af80-edde541d6ccb.jpg "2D Structure of methyl (1R,10R,14S,15R,18R,19S)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icosa-3,7(20)-diene-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 | 98.92% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.69% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.50% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.06% | 91.19% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 84.26% | 98.57% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.13% | 94.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.66% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.10% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.73% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.27% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.01% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.53% | 83.82% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.17% | 89.05% |
| CHEMBL5028 | O14672 | ADAM10 | 80.50% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.41% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.12% | 90.71% |
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 pentandrum |
| Daphniphyllum subverticillatum |
| PubChem | 102154904 |
| LOTUS | LTS0081496 |
| wikiData | Q104398965 |