methyl (1Z,5E,8R,11E)-5,11-dimethyl-8-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,5,11-triene-1-carboxylate
| Internal ID | 3164876a-5603-4d2e-b32a-3decf6caad77 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | methyl (1Z,5E,8R,11E)-5,11-dimethyl-8-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,5,11-triene-1-carboxylate |
| SMILES (Canonical) | CC1=CCCC(=CCCC(=CCC(CC1)C(=C)CCC=C(C)C)C)C(=O)OC |
| SMILES (Isomeric) | C/C/1=C\CC/C(=C/CC/C(=C/C[C@@H](CC1)C(=C)CCC=C(C)C)/C)/C(=O)OC |
| InChI | InChI=1S/C26H40O2/c1-20(2)10-7-13-23(5)24-18-16-21(3)11-8-14-25(26(27)28-6)15-9-12-22(4)17-19-24/h10-11,15,17,24H,5,7-9,12-14,16,18-19H2,1-4,6H3/b21-11+,22-17+,25-15-/t24-/m1/s1 |
| InChI Key | UGPZTMLTAVKOQT-ILPNOKFCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H40O2 |
| Molecular Weight | 384.60 g/mol |
| Exact Mass | 384.302830514 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 7.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.60% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.92% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.54% | 83.82% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.19% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.63% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.48% | 99.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.16% | 91.24% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.16% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.73% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.58% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.30% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.10% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.21% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 95.89% |
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 | 162850090 |
| LOTUS | LTS0222601 |
| wikiData | Q105272501 |