6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-12,17,20-triol
| Internal ID | 9a364a44-7a1c-43d5-8792-1bd1e52de434 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | 6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-12,17,20-triol |
| SMILES (Canonical) | CC1CCC2C(C3C(CC4C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)O)C |
| SMILES (Isomeric) | CC1CCC2C(C3C(CC4C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)O)C |
| InChI | InChI=1S/C27H45NO3/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/h14-26,29-31H,4-13H2,1-3H3 |
| InChI Key | DRFSPDBMXZHMAP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H45NO3 |
| Molecular Weight | 431.70 g/mol |
| Exact Mass | 431.33994430 g/mol |
| Topological Polar Surface Area (TPSA) | 63.90 Ų |
| XlogP | 4.20 |
| 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]pentacosane-12,17,20-triol](https://plantaedb.com/storage/docs/compounds/2023/11/61023-trimethyl-4-azahexacyclo1211002110490152401823pentacosane-121720-triol.jpg "2D Structure of 6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-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 |
|---|---|---|---|---|
| CHEMBL238 | Q01959 | Dopamine transporter | 96.86% | 95.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.20% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 95.26% | 89.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.38% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.98% | 82.69% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.87% | 95.58% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.75% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.44% | 97.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.69% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.54% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.76% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.40% | 94.78% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.01% | 98.10% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.13% | 91.03% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.83% | 95.92% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.49% | 98.46% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.29% | 95.38% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.12% | 92.86% |
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 delavayi |
| PubChem | 14287374 |
| LOTUS | LTS0182978 |
| wikiData | Q104987379 |