[(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)hept-2-enyl] 4-methylpentanoate
| Internal ID | 514ee052-f73a-4fc2-b09a-60f3e0640ead |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)hept-2-enyl] 4-methylpentanoate |
| SMILES (Canonical) | CC1=CC=C(CC1)C(C)CCC=C(C)COC(=O)CCC(C)C |
| SMILES (Isomeric) | CC1=CC=C(CC1)[C@H](C)CC/C=C(/C)\COC(=O)CCC(C)C |
| InChI | InChI=1S/C21H34O2/c1-16(2)9-14-21(22)23-15-18(4)7-6-8-19(5)20-12-10-17(3)11-13-20/h7,10,12,16,19H,6,8-9,11,13-15H2,1-5H3/b18-7-/t19-/m1/s1 |
| InChI Key | GYZWFKRGEXLHOG-YFMIZXKXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O2 |
| Molecular Weight | 318.50 g/mol |
| Exact Mass | 318.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of [(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)hept-2-enyl] 4-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/z6r-2-methyl-6-4-methylcyclohexa-13-dien-1-ylhept-2-enyl-4-methylpentanoate.jpg "2D Structure of [(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)hept-2-enyl] 4-methylpentanoate")
| 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 | 95.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.61% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.22% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.57% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.50% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.90% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.71% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.53% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.43% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.17% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.33% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.03% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.92% | 96.00% |
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.
| Nicotiana tabacum |
| Pulicaria gnaphalodes |
| Smilax aristolochiifolia |
| Solanum melongena |
| PubChem | 162905707 |
| LOTUS | LTS0179971 |
| wikiData | Q105380000 |