methyl 6-chloro-2-hydroxy-2,5,8a-trimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carboxylate
| Internal ID | 5bb663be-2047-4084-9f9d-3e76fce81ace |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 6-chloro-2-hydroxy-2,5,8a-trimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H35ClO3/c1-14(2)8-7-11-19(3)15-9-13-21(5,24)17(18(23)25-6)20(15,4)12-10-16(19)22/h8,15-17,24H,7,9-13H2,1-6H3 |
| InChI Key | UIZABROIEVWUKR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H35ClO3 |
| Molecular Weight | 371.00 g/mol |
| Exact Mass | 370.2274727 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.59% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.94% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.44% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.19% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.90% | 85.30% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.22% | 95.71% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.94% | 97.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.79% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.63% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.87% | 91.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.85% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.23% | 96.38% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.97% | 89.34% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.30% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.98% | 95.89% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.82% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.94% | 96.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.85% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.85% | 91.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.48% | 96.90% |
| CHEMBL240 | Q12809 | HERG | 80.27% | 89.76% |
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 | 163048330 |
| LOTUS | LTS0121551 |
| wikiData | Q105273757 |