(3E,7S,8E,10S,13R)-7-hydroxy-10-(2-hydroxypropan-2-yl)-10-methoxy-3,7,13-trimethylcyclotetradeca-3,8-dien-1-one
| Internal ID | dbe24cd1-5503-4eda-95ed-a82578a0ce0f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | (3E,7S,8E,10S,13R)-7-hydroxy-10-(2-hydroxypropan-2-yl)-10-methoxy-3,7,13-trimethylcyclotetradeca-3,8-dien-1-one |
| SMILES (Canonical) | CC1CCC(C=CC(CCC=C(CC(=O)C1)C)(C)O)(C(C)(C)O)OC |
| SMILES (Isomeric) | C[C@@H]1CC[C@](/C=C/[C@@](CC/C=C(/CC(=O)C1)\C)(C)O)(C(C)(C)O)OC |
| InChI | InChI=1S/C21H36O4/c1-16-8-7-10-20(5,24)12-13-21(25-6,19(3,4)23)11-9-17(2)15-18(22)14-16/h8,12-13,17,23-24H,7,9-11,14-15H2,1-6H3/b13-12+,16-8+/t17-,20+,21+/m1/s1 |
| InChI Key | PUAPJGQBSUWLAY-UBTJDZBVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O4 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.78% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.26% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.95% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.78% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.42% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.93% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.83% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.82% | 91.49% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.76% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.49% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.41% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.53% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.43% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.84% | 99.23% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.65% | 86.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.84% | 100.00% |
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.
| Chloranthus henryi |
| Chloranthus serratus |
| Chloranthus spicatus |
| PubChem | 162883340 |
| LOTUS | LTS0254037 |
| wikiData | Q105139185 |