methyl 10-acetyloxy-1-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene-2-carboxylate
| Internal ID | 9d644503-2cc4-4e49-ab23-f6e478849c07 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Isocopalane and spongiane diterpenoids |
| IUPAC Name | methyl 10-acetyloxy-1-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H36O5/c1-14(25)28-19-12-18-21(2,3)10-7-11-22(18,4)17-9-8-15(20(26)27-6)16(13-24)23(17,19)5/h13,15-19H,7-12H2,1-6H3 |
| InChI Key | QKPLRAHXBZXDEV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O5 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.09% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.36% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.88% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.82% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.69% | 96.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.83% | 98.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.36% | 97.93% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.28% | 95.58% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.65% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.42% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.96% | 93.04% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.79% | 98.99% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.60% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.53% | 92.62% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.77% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.63% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 83.46% | 97.50% |
| CHEMBL268 | P43235 | Cathepsin K | 83.15% | 96.85% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.05% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.65% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.36% | 92.50% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.24% | 86.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.73% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.33% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.21% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.19% | 95.71% |
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.
| There are no matching plants. |
| PubChem | 85447780 |
| LOTUS | LTS0128633 |
| wikiData | Q105223258 |