10,14,16,20-Tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosane-4,5,7-triol
| Internal ID | bfc3f62c-b1b8-470f-96bb-00ba398026ca |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Solanidines and derivatives |
| IUPAC Name | 10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosane-4,5,7-triol |
| SMILES (Canonical) | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC(C6(C5(CCC(C6)O)C)O)O)C)C |
| SMILES (Isomeric) | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC(C6(C5(CCC(C6)O)C)O)O)C)C |
| InChI | InChI=1S/C27H45NO3/c1-15-5-6-21-16(2)24-22(28(21)14-15)12-20-18-11-23(30)27(31)13-17(29)7-10-26(27,4)19(18)8-9-25(20,24)3/h15-24,29-31H,5-14H2,1-4H3 |
| InChI Key | JODUSMJFNDBJCL-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 | 4.50 |
| There are no found synonyms. |
![2D Structure of 10,14,16,20-Tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosane-4,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/10141620-tetramethyl-22-azahexacyclo12100021105100152301722tetracosane-457-triol.jpg "2D Structure of 10,14,16,20-Tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosane-4,5,7-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 | 98.01% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 97.01% | 89.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.07% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.61% | 82.69% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.56% | 92.86% |
| CHEMBL204 | P00734 | Thrombin | 93.07% | 96.01% |
| CHEMBL238 | Q01959 | Dopamine transporter | 92.40% | 95.88% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.02% | 96.43% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.00% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.57% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.53% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.85% | 95.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.87% | 92.94% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.28% | 94.78% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 85.89% | 94.50% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.68% | 86.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 85.60% | 98.46% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.03% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.50% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.38% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.01% | 95.50% |
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 | 14287376 |
| LOTUS | LTS0097954 |
| wikiData | Q105132280 |