(3,5-dihydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl)methyl 3-methylbut-2-enoate
| Internal ID | dc9add1b-ca07-4c6d-ad06-efc259cb2490 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3,5-dihydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl)methyl 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(C)C1=CC2=CC=C3C(CC(CC3(C2=C(C1=O)O)C)O)(C)COC(=O)C=C(C)C |
| SMILES (Isomeric) | CC(C)C1=CC2=CC=C3C(CC(CC3(C2=C(C1=O)O)C)O)(C)COC(=O)C=C(C)C |
| InChI | InChI=1S/C25H32O5/c1-14(2)9-20(27)30-13-24(5)11-17(26)12-25(6)19(24)8-7-16-10-18(15(3)4)22(28)23(29)21(16)25/h7-10,15,17,26,29H,11-13H2,1-6H3 |
| InChI Key | APPJPEJTKDRCAB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O5 |
| Molecular Weight | 412.50 g/mol |
| Exact Mass | 412.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.89% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.63% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.63% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.41% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.19% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.23% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.69% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.68% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.31% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.12% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.43% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.01% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.29% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.98% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.88% | 94.33% |
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.
| Plectranthus strigosus |
| PubChem | 162996242 |
| LOTUS | LTS0191023 |
| wikiData | Q104916463 |