Solanid-5-ene-3beta,18-diol
| Internal ID | b29098f4-1731-43ba-b4ce-25ca320be147 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Solanidines and derivatives |
| IUPAC Name | 14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol |
| SMILES (Canonical) | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)CO)C |
| SMILES (Isomeric) | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)CO)C |
| InChI | InChI=1S/C27H43NO2/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3 |
| InChI Key | NMFWDNZLNHRNAT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H43NO2 |
| Molecular Weight | 413.60 g/mol |
| Exact Mass | 413.329379614 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 4.70 |
| 468-45-1 |
| Solanid-5-ene-3.beta.,18-diol |
| 14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol |
| NSC-226131 |
| Solanid-5-ene-3,18-diol, (3.beta.)- |
| Solanid-5-ene-3,18-diol |
| SCHEMBL14052357 |
| Solanid-5-ene-3,18-diol # |
| DTXSID00963666 |
| NMFWDNZLNHRNAT-UHFFFAOYSA-N |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.08% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 96.52% | 89.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.85% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.42% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.01% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 91.88% | 86.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.09% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.25% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.63% | 86.33% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.62% | 95.88% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 86.56% | 98.46% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.09% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.77% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.34% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.86% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.91% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.37% | 96.90% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.43% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.22% | 93.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.16% | 96.43% |
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.
| Veratrum dahuricum |
| Veratrum lobelianum |
| PubChem | 313041 |
| LOTUS | LTS0133786 |
| wikiData | Q105181757 |