7-hydroxy-1,4a-dimethyl-3-oxo-8-propan-2-yl-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
| Internal ID | 127c5594-8baa-45d4-a6f9-f2efadd4e8d0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 7-hydroxy-1,4a-dimethyl-3-oxo-8-propan-2-yl-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid |
| SMILES (Canonical) | CC(C)C1=C(C=CC2=C1CCC3C2(CC(=O)CC3(C)C(=O)O)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=CC2=C1CCC3C2(CC(=O)CC3(C)C(=O)O)C)O |
| InChI | InChI=1S/C20H26O4/c1-11(2)17-13-5-8-16-19(3,14(13)6-7-15(17)22)9-12(21)10-20(16,4)18(23)24/h6-7,11,16,22H,5,8-10H2,1-4H3,(H,23,24) |
| InChI Key | FIIHHPSSDWHEQS-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 | 3.50 |
| 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 | 98.94% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.54% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.09% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.53% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.93% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.69% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.19% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.75% | 93.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.51% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.84% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.54% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.36% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.09% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.46% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.16% | 89.00% |
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 | 162969911 |
| LOTUS | LTS0106958 |
| wikiData | Q104995723 |