7-hydroxy-1,4a-dimethyl-9-oxo-8-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
| Internal ID | 291a7d63-8d1d-4097-b0f5-289c3c95113d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 7-hydroxy-1,4a-dimethyl-9-oxo-8-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid |
| SMILES (Canonical) | CC(C)C1=C(C=CC2=C1C(=O)CC3C2(CCCC3(C)C(=O)O)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=CC2=C1C(=O)CC3C2(CCCC3(C)C(=O)O)C)O |
| InChI | InChI=1S/C20H26O4/c1-11(2)16-13(21)7-6-12-17(16)14(22)10-15-19(12,3)8-5-9-20(15,4)18(23)24/h6-7,11,15,21H,5,8-10H2,1-4H3,(H,23,24) |
| InChI Key | WDDXJPVDQFRGNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O4 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 4.10 |
| 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 | 98.98% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.09% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.16% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.29% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.82% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.36% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.34% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.69% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.14% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.09% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.82% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.51% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.38% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.04% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.59% | 91.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.13% | 93.56% |
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.
| Podocarpus macrophyllus |
| PubChem | 162942212 |
| LOTUS | LTS0064943 |
| wikiData | Q105302288 |