[12-[Acetyl(methyl)amino]-3,9-diacetyloxy-3,9-dimethyl-13-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl] acetate
| Internal ID | 4a3e005e-fcf1-4865-90cc-4ce34dbec650 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Eunicellane and asbestinane diterpenoids |
| IUPAC Name | [12-[acetyl(methyl)amino]-3,9-diacetyloxy-3,9-dimethyl-13-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H45NO8/c1-15(2)21-14-24(35-18(5)32)29(9,38-20(7)34)26-23-13-16(3)22(30(10)17(4)31)11-12-28(8,37-19(6)33)27(36-23)25(21)26/h15,21-27H,3,11-14H2,1-2,4-10H3 |
| InChI Key | UJHCHLJXFNAMGN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H45NO8 |
| Molecular Weight | 535.70 g/mol |
| Exact Mass | 535.31451739 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [12-[Acetyl(methyl)amino]-3,9-diacetyloxy-3,9-dimethyl-13-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/95061c30-874f-11ee-b170-3d067b42d11d.jpg "2D Structure of [12-[Acetyl(methyl)amino]-3,9-diacetyloxy-3,9-dimethyl-13-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl] 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 | 97.38% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.62% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.88% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.34% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.10% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.96% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.84% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.33% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.27% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.99% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.43% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.91% | 90.08% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.12% | 85.31% |
| CHEMBL5028 | O14672 | ADAM10 | 81.69% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.34% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.08% | 94.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.91% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.55% | 97.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.49% | 82.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.11% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.01% | 89.50% |
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 | 73811712 |
| LOTUS | LTS0093305 |
| wikiData | Q105273939 |