(5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl) 3,4-dihydroxybenzoate
| Internal ID | 845dfd41-3dca-49e7-ba6c-35564e560eac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl) 3,4-dihydroxybenzoate |
| SMILES (Canonical) | CC(C)C1=CC2=CC=C3C(CC(CC3(C2=C(C1=O)O)C)OC(=O)C4=CC(=C(C=C4)O)O)(C)C |
| SMILES (Isomeric) | CC(C)C1=CC2=CC=C3C(CC(CC3(C2=C(C1=O)O)C)OC(=O)C4=CC(=C(C=C4)O)O)(C)C |
| InChI | InChI=1S/C27H30O6/c1-14(2)18-10-15-7-9-21-26(3,4)12-17(13-27(21,5)22(15)24(31)23(18)30)33-25(32)16-6-8-19(28)20(29)11-16/h6-11,14,17,28-29,31H,12-13H2,1-5H3 |
| InChI Key | ODFVSDJLTCHLCV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O6 |
| Molecular Weight | 450.50 g/mol |
| Exact Mass | 450.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.90 |
| 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 | 98.96% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.07% | 91.49% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 96.31% | 85.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.05% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.06% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.77% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.75% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.67% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.34% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.27% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.85% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.81% | 94.75% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.24% | 97.53% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.18% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.48% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.87% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.38% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.03% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.48% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.82% | 93.03% |
| CHEMBL3194 | P02766 | Transthyretin | 82.56% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.37% | 90.71% |
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.
| Plectranthus parviflorus |
| Plectranthus strigosus |
| PubChem | 85129239 |
| LOTUS | LTS0105973 |
| wikiData | Q105189825 |