CID 145720646
| Internal ID | a62c889c-d15f-411f-99be-1a46dfdad7e5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids |
| IUPAC Name | (5R,8S,9S,10S,11S,13R,14S,15R,16E,18E)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H36N2O4/c1-3-17-15-21-25(16(17)2)20-12-10-18-11-13-23(32)27-28(34)22(31-29(27)35)8-6-14-30-24(33)9-5-4-7-19(18)26(20)21/h4-5,7,9-13,16-22,25-26,32H,3,6,8,14-15H2,1-2H3,(H,30,33)(H,31,35)/b7-4+,9-5+,13-11?,27-23?/t16-,17-,18+,19+,20-,21+,22?,25+,26-/m0/s1 |
| InChI Key | BIOWYFXUBBMGKM-LXTLZQNZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H36N2O4 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.26750763 g/mol |
| Topological Polar Surface Area (TPSA) | 95.50 Ų |
| XlogP | 4.90 |
| (5R,8S,9S,10S,11S,13R,14S,15R,16E,18E)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,15.08,14.09,13]octacosa-1,3,6,16,18-pentaene-20,27,28-trione |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.70% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.32% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.30% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.12% | 98.95% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.72% | 91.76% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.71% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.49% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.03% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.89% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.09% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.48% | 98.59% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.79% | 92.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.81% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.46% | 96.21% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.13% | 96.61% |
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.
| There are no matching plants. |
| PubChem | 145720646 |
| LOTUS | LTS0222099 |
| wikiData | Q104936659 |