(4-Acetyloxy-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-3-yl) 3-methylbut-2-enoate
| Internal ID | 0bf07c88-13af-482e-85ec-486a15b9b316 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4-acetyloxy-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-3-yl) 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(=CC(=O)OC1C(C2C3(CCCC(C3CCC2(CC1(C)C=C)O)(C)C)C)OC(=O)C)C |
| SMILES (Isomeric) | CC(=CC(=O)OC1C(C2C3(CCCC(C3CCC2(CC1(C)C=C)O)(C)C)C)OC(=O)C)C |
| InChI | InChI=1S/C27H42O5/c1-9-25(7)16-27(30)14-11-19-24(5,6)12-10-13-26(19,8)22(27)21(31-18(4)28)23(25)32-20(29)15-17(2)3/h9,15,19,21-23,30H,1,10-14,16H2,2-8H3 |
| InChI Key | WOYMJHZBAHCGIL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O5 |
| Molecular Weight | 446.60 g/mol |
| Exact Mass | 446.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 6.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.76% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.20% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.31% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.06% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.81% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.04% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.06% | 91.24% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.30% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.64% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.54% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.90% | 91.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.79% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.35% | 92.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.04% | 93.03% |
| CHEMBL5028 | O14672 | ADAM10 | 82.62% | 97.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.18% | 92.94% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.73% | 94.33% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.59% | 95.36% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.00% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.82% | 82.69% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.26% | 94.66% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.26% | 82.50% |
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.
| Ozothamnus bilobus |
| PubChem | 14262754 |
| LOTUS | LTS0068810 |
| wikiData | Q105309748 |