Candol A
| Internal ID | 66213f8f-c686-4621-980f-9a55e3d9df7a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,2S,4R,9R,10S,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-2-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CC(C34C2CCC(C3)C(=C)C4)O)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)O)(C)C |
| InChI | InChI=1S/C20H32O/c1-13-11-20-12-14(13)6-7-15(20)19(4)9-5-8-18(2,3)16(19)10-17(20)21/h14-17,21H,1,5-12H2,2-4H3/t14-,15+,16-,17+,19+,20+/m1/s1 |
| InChI Key | WJSZZAMAQPVPRJ-ODQAOENWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32O |
| Molecular Weight | 288.50 g/mol |
| Exact Mass | 288.245315640 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.40 |
| (1R,2S,4R,9R,10S,13R)-5,5,9-Trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-2-ol |
| 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 | 98.36% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.59% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.96% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.33% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.48% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.09% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.45% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.66% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.90% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.83% | 95.38% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.72% | 95.58% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.93% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.74% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.52% | 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.
| Amentotaxus formosana |
| Sideritis canariensis |
| Sideritis candicans |
| Sideritis ferrensis |
| Sideritis soluta |
| PubChem | 14890424 |
| LOTUS | LTS0196726 |
| wikiData | Q104397167 |