Brassicicene W
| Internal ID | 96d7eccf-159d-4bfb-8f39-a6a95805b45b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Fusicoccane diterpenoids |
| IUPAC Name | (3R,4S,9S,10R,11S,14R)-14-methoxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-diene-4,9-diol |
| SMILES (Canonical) | CC1C2CCC(C2=CC3(C(CC(=C3CC1O)C(C)C)O)C)(COC)OC |
| SMILES (Isomeric) | C[C@@H]1[C@@H]2CC[C@@](C2=C[C@]3([C@H](CC(=C3C[C@@H]1O)C(C)C)O)C)(COC)OC |
| InChI | InChI=1S/C22H36O4/c1-13(2)16-9-20(24)21(4)11-18-15(14(3)19(23)10-17(16)21)7-8-22(18,26-6)12-25-5/h11,13-15,19-20,23-24H,7-10,12H2,1-6H3/t14-,15+,19+,20+,21-,22+/m1/s1 |
| InChI Key | HWCZSAJXKSHKFY-PGVONUBFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H36O4 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 1.80 |
| 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 | 98.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.08% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.93% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.23% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.53% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.58% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.54% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.18% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.14% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.51% | 95.93% |
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 | 146684045 |
| LOTUS | LTS0129186 |
| wikiData | Q105034607 |