[(11S)-5-acetyloxy-12,12-dimethyl-6-propan-2-yl-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraenyl] acetate
| Internal ID | eda73a52-a103-448e-98ac-8c6ef43d42b4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [(11S)-5-acetyloxy-12,12-dimethyl-6-propan-2-yl-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraenyl] acetate |
| SMILES (Canonical) | CC(C)C1=C(C(=C2CC3=CCCC(C3CCC2=C1)(C)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2CC3=CCCC([C@@H]3CCC2=C1)(C)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C24H32O4/c1-14(2)19-12-17-9-10-21-18(8-7-11-24(21,5)6)13-20(17)23(28-16(4)26)22(19)27-15(3)25/h8,12,14,21H,7,9-11,13H2,1-6H3/t21-/m1/s1 |
| InChI Key | ZRKDARPAWIQXGK-OAQYLSRUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H32O4 |
| Molecular Weight | 384.50 g/mol |
| Exact Mass | 384.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of [(11S)-5-acetyloxy-12,12-dimethyl-6-propan-2-yl-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/34726100-855a-11ee-a3c1-05002baeb1e4.jpg "2D Structure of [(11S)-5-acetyloxy-12,12-dimethyl-6-propan-2-yl-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraenyl] 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 | 99.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.47% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.89% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.79% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.05% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.21% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.65% | 96.77% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 87.59% | 91.65% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.77% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.45% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.07% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.88% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.65% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.53% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.47% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.98% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.73% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.52% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.29% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.79% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.50% | 90.00% |
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 barbatus |
| PubChem | 14396266 |
| LOTUS | LTS0146574 |
| wikiData | Q105382042 |