[(1S,4S,6S,10S,12R)-4,12-dimethyl-9-methylidene-14-oxo-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadecan-10-yl] acetate
| Internal ID | 588d21a9-98c0-4543-83e5-75a194079947 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids |
| IUPAC Name | [(1S,4S,6S,10S,12R)-4,12-dimethyl-9-methylidene-14-oxo-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadecan-10-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O4/c1-13(2)20-16-9-10-22(6)19(26-22)8-7-14(3)18(25-15(4)23)12-21(16,5)11-17(20)24/h16,18-19H,3,7-12H2,1-2,4-6H3/t16-,18+,19+,21+,22+/m1/s1 |
| InChI Key | IALLGZZKSNMRMB-XTYSOYBWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 55.90 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [(1S,4S,6S,10S,12R)-4,12-dimethyl-9-methylidene-14-oxo-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadecan-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c827ee50-86d8-11ee-942e-d9880f41236c.jpg "2D Structure of [(1S,4S,6S,10S,12R)-4,12-dimethyl-9-methylidene-14-oxo-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadecan-10-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.46% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.24% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.94% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.91% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.08% | 97.25% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.91% | 95.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.44% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.09% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.58% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.30% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.01% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.99% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.66% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.08% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.64% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.85% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.34% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.03% | 93.04% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.09% | 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.
| There are no matching plants. |
| PubChem | 46833127 |
| LOTUS | LTS0090178 |
| wikiData | Q105036185 |