dimethyl (1Z,5Z,7R,9E,11E,14R)-7-acetyloxy-14-hydroxy-9-methyl-12-propan-2-ylcyclotetradeca-1,5,9,11-tetraene-1,5-dicarboxylate
| Internal ID | ff1ff860-0cb7-4344-9514-365ce13e63ca |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | dimethyl (1Z,5Z,7R,9E,11E,14R)-7-acetyloxy-14-hydroxy-9-methyl-12-propan-2-ylcyclotetradeca-1,5,9,11-tetraene-1,5-dicarboxylate |
| SMILES (Canonical) | CC1=CC=C(CC(C(=CCCC(=CC(C1)OC(=O)C)C(=O)OC)C(=O)OC)O)C(C)C |
| SMILES (Isomeric) | C/C/1=C\C=C(/C[C@H](/C(=C/CC/C(=C/[C@@H](C1)OC(=O)C)/C(=O)OC)/C(=O)OC)O)\C(C)C |
| InChI | InChI=1S/C24H34O7/c1-15(2)18-11-10-16(3)12-20(31-17(4)25)13-19(23(27)29-5)8-7-9-21(22(26)14-18)24(28)30-6/h9-11,13,15,20,22,26H,7-8,12,14H2,1-6H3/b16-10+,18-11+,19-13-,21-9-/t20-,22-/m1/s1 |
| InChI Key | KBQKZBYGDQCBTJ-NPVOAUDJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H34O7 |
| Molecular Weight | 434.50 g/mol |
| Exact Mass | 434.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.97% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.40% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.36% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.10% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.53% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.14% | 93.03% |
| CHEMBL5028 | O14672 | ADAM10 | 84.73% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.41% | 94.33% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 83.77% | 91.65% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.40% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.62% | 90.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.08% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.47% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.84% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.46% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.41% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.06% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.03% | 93.56% |
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 | 162920295 |
| LOTUS | LTS0092192 |
| wikiData | Q105138475 |