2-(Dimethylamino)ethyl (3-hydroxy-14-methyl-7-oxopodocarpan-13-ylidene)acetate
| Internal ID | 5fd0be05-71dc-4581-958f-e1dd0e680bd6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-(dimethylamino)ethyl 2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate |
| SMILES (Canonical) | CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C |
| SMILES (Isomeric) | CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C |
| InChI | InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3 |
| InChI Key | GMHWATCMBXIANN-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C24H39NO4 |
| Molecular Weight | 405.60 g/mol |
| Exact Mass | 405.28790873 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.10 |
| NCI60_041577 |
| 2-(Dimethylamino)ethyl (3-hydroxy-14-methyl-7-oxopodocarpan-13-ylidene)acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.41% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.51% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.34% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.14% | 95.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.93% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.77% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 85.35% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.72% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.90% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.34% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.14% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.26% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.00% | 94.75% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.61% | 86.67% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.60% | 98.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.45% | 85.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.34% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.85% | 100.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.40% | 95.51% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.21% | 99.35% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.10% | 97.33% |
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.
| Erythrophleum coumingo |
| Erythrophleum suaveolens |
| PubChem | 118078 |
| LOTUS | LTS0206245 |
| wikiData | Q105011848 |