Methyl 6-chloro-1-formyl-8-hydroxy-5-(3-hydroxy-4-methylpent-4-enyl)-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
| Internal ID | 00c8ae99-cd82-4505-8351-0a93b4cface5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 6-chloro-1-formyl-8-hydroxy-5-(3-hydroxy-4-methylpent-4-enyl)-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate |
| SMILES (Canonical) | CC(=C)C(CCC1(C2CC=C(C(C2(C(CC1Cl)O)C)C=O)C(=O)OC)C)O |
| SMILES (Isomeric) | CC(=C)C(CCC1(C2CC=C(C(C2(C(CC1Cl)O)C)C=O)C(=O)OC)C)O |
| InChI | InChI=1S/C21H31ClO5/c1-12(2)15(24)8-9-20(3)16-7-6-13(19(26)27-5)14(11-23)21(16,4)18(25)10-17(20)22/h6,11,14-18,24-25H,1,7-10H2,2-5H3 |
| InChI Key | PMPHZBAWDOYBGN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H31ClO5 |
| Molecular Weight | 398.90 g/mol |
| Exact Mass | 398.1860018 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.81% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.01% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.35% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.72% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.93% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.03% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.20% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.78% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.52% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.31% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.27% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.80% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 82.32% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.86% | 91.07% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.82% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.88% | 86.33% |
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 | 162892445 |
| LOTUS | LTS0231387 |
| wikiData | Q105211642 |