(6S,10R,17R,23R)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
| Internal ID | bf8ed2c1-544e-4d24-aa08-017bc6a96397 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | (6S,10R,17R,23R)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol |
| SMILES (Canonical) | CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)C |
| SMILES (Isomeric) | C[C@H]1CCC2[C@@H](C3CCC4C5C[C@H](C6CC(CC[C@@]6(C5CC4C3CN2C1)C)O)O)C |
| InChI | InChI=1S/C27H45NO2/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/h15-26,29-30H,4-14H2,1-3H3/t15-,16+,17?,18?,19?,20?,21?,22?,23?,24?,25?,26+,27+/m0/s1 |
| InChI Key | NEMWYOKGHGSVSC-LLTQTDBVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H45NO2 |
| Molecular Weight | 415.70 g/mol |
| Exact Mass | 415.345029678 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (6S,10R,17R,23R)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol](https://plantaedb.com/storage/docs/compounds/2023/11/b5c2f760-856c-11ee-985a-174d35eca0e1.jpg "2D Structure of (6S,10R,17R,23R)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-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 |
|---|---|---|---|---|
| CHEMBL238 | Q01959 | Dopamine transporter | 97.06% | 95.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.99% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 95.85% | 89.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.64% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.34% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.86% | 97.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.33% | 96.43% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.48% | 95.92% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.30% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.22% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.40% | 92.86% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.35% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.26% | 98.10% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 85.25% | 88.33% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.64% | 98.46% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.80% | 91.03% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.60% | 97.64% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.85% | 95.58% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.25% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.45% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.02% | 94.75% |
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 |
| Fritillaria imperialis |
| Fritillaria persica |
| PubChem | 5316479 |
| LOTUS | LTS0237674 |
| wikiData | Q105178064 |