6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-7-ene-12,17,20-triol
| Internal ID | 7a1e16a1-deb4-4794-8e17-10e06e1b97c6 |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | 6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-7-ene-12,17,20-triol |
| SMILES (Canonical) | CC1CN2CC3C4CC5C(C4CC(C3C(C2C=C1)C)O)CC(C6C5(CCC(C6)O)C)O |
| SMILES (Isomeric) | CC1CN2CC3C4CC5C(C4CC(C3C(C2C=C1)C)O)CC(C6C5(CCC(C6)O)C)O |
| InChI | InChI=1S/C27H43NO3/c1-14-4-5-23-15(2)26-20(13-28(23)12-14)17-9-21-19(18(17)10-25(26)31)11-24(30)22-8-16(29)6-7-27(21,22)3/h4-5,14-26,29-31H,6-13H2,1-3H3 |
| InChI Key | BSHYJFKVJJHKEM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H43NO3 |
| Molecular Weight | 429.60 g/mol |
| Exact Mass | 429.32429423 g/mol |
| Topological Polar Surface Area (TPSA) | 63.90 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-7-ene-12,17,20-triol](https://plantaedb.com/storage/docs/compounds/2023/11/61023-trimethyl-4-azahexacyclo1211002110490152401823pentacos-7-ene-121720-triol.jpg "2D Structure of 6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-7-ene-12,17,20-triol")
| 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 | 96.44% | 96.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 94.66% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.72% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.60% | 95.58% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.57% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.29% | 82.69% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.49% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.45% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.19% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.10% | 96.61% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.48% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.50% | 97.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.73% | 95.92% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.46% | 98.46% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.63% | 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.
| Fritillaria imperialis |
| PubChem | 162951203 |
| LOTUS | LTS0050336 |
| wikiData | Q104888661 |