(1R,2S,6R,9S,11S,14R,17S,18S,20R,23S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-15(24)-ene-17,20-diol
| Internal ID | c309d694-0280-4920-8a10-dd10c67fe29c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | (1R,2S,6R,9S,11S,14R,17S,18S,20R,23S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-15(24)-ene-17,20-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-20,22,24-26,29-30H,4-14H2,1-3H3/t15-,16?,17-,18-,19-,20-,22-,24-,25+,26+,27-/m1/s1 |
| InChI Key | GPOVTJUXVPPEKR-PKIQWQQNSA-N |
| Popularity | 2 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 | 4.40 |
| There are no found synonyms. |
![2D Structure of (1R,2S,6R,9S,11S,14R,17S,18S,20R,23S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-15(24)-ene-17,20-diol](https://plantaedb.com/storage/docs/compounds/2023/11/98c90530-85e0-11ee-99a3-5dd9323edb7c.jpg "2D Structure of (1R,2S,6R,9S,11S,14R,17S,18S,20R,23S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-15(24)-ene-17,20-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 98.74% | 89.05% |
| CHEMBL238 | Q01959 | Dopamine transporter | 98.25% | 95.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.13% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.74% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.26% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.49% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.13% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.89% | 97.05% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.51% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.81% | 97.14% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.43% | 95.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.98% | 95.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.79% | 90.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.19% | 95.58% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.03% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.98% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.94% | 94.78% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.65% | 98.46% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.57% | 92.86% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.12% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.11% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.50% | 98.95% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 81.43% | 88.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.63% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 95.89% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.01% | 97.64% |
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 sewerzowi |
| PubChem | 101316983 |
| LOTUS | LTS0210783 |
| wikiData | Q105015036 |