methyl 5,6,9-trihydroxy-1,1-dimethyl-10-oxo-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-4a-carboxylate
| Internal ID | 3eabecae-9723-4758-8a50-aa0284bee507 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 5,6,9-trihydroxy-1,1-dimethyl-10-oxo-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-4a-carboxylate |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C(C(=O)C3C2(CCCC3(C)C)C(=O)OC)O)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)C(C(=O)C3C2(CCCC3(C)C)C(=O)OC)O)O)O |
| InChI | InChI=1S/C21H28O6/c1-10(2)11-9-12-13(16(24)14(11)22)21(19(26)27-5)8-6-7-20(3,4)18(21)17(25)15(12)23/h9-10,15,18,22-24H,6-8H2,1-5H3 |
| InChI Key | DEWFEGAYVMERFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O6 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.57% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.73% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.12% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.75% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.24% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.14% | 96.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.79% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.01% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.69% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.14% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.62% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.58% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.18% | 92.88% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.27% | 91.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.97% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.91% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.53% | 98.75% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.78% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.67% | 93.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.00% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.74% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.51% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.02% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.00% | 92.62% |
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.
| Salvia canariensis |
| PubChem | 13966138 |
| LOTUS | LTS0123802 |
| wikiData | Q104977572 |