(5alpha,8xi,10xi,13xi,25xi)-Cevane-3,6,20-triol
| Internal ID | 115e9cf9-a9f6-4559-a4a6-6fec9d289f00 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | (1R,9S,10S,11S,14S,18S,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol |
| SMILES (Canonical) | CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)(C)O |
| SMILES (Isomeric) | CC1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H](C3CN2C1)C[C@H]5C4CC([C@@H]6C5(CCC(C6)O)C)O)(C)O |
| InChI | InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15?,16?,17-,18-,19?,20?,21+,22+,23-,24?,25+,26?,27+/m1/s1 |
| InChI Key | IUKLSMSEHKDIIP-HJNHJIHISA-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 | 4.10 |
| There are no found synonyms. |
| 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 | 95.74% | 96.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 95.11% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.43% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.17% | 82.69% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.75% | 89.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.15% | 97.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.95% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.93% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 87.51% | 96.01% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.25% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.81% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.78% | 91.03% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 84.60% | 96.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.56% | 92.86% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.40% | 95.92% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.63% | 98.46% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.13% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.75% | 96.61% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.27% | 97.64% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.27% | 95.58% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.14% | 95.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.60% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.18% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.08% | 94.45% |
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 cirrhosa |
| Fritillaria ebeiensis |
| Fritillaria imperialis |
| Fritillaria monantha |
| Fritillaria taipaiensis |
| Fritillaria unibracteata var. wabuensis |
| PubChem | 139291898 |
| LOTUS | LTS0232852 |
| wikiData | Q104253422 |