(2Z,6Z)-2-[(3R)-3-chloro-4-methylpent-4-enyl]-9-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methylnona-2,6-dienoic acid
| Internal ID | 51d23fdc-426a-4f8e-8cc4-eb541c2964ac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2Z,6Z)-2-[(3R)-3-chloro-4-methylpent-4-enyl]-9-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methylnona-2,6-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H35ClO4/c1-18(2)24(28)12-11-21(26(30)31)10-6-8-19(3)9-7-14-27(5)15-13-22-17-23(29)16-20(4)25(22)32-27/h9-10,13,15-17,24,29H,1,6-8,11-12,14H2,2-5H3,(H,30,31)/b19-9-,21-10-/t24-,27-/m1/s1 |
| InChI Key | AQCCYRBRVYHDDZ-BJBHUKSESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H35ClO4 |
| Molecular Weight | 459.00 g/mol |
| Exact Mass | 458.2223873 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of (2Z,6Z)-2-[(3R)-3-chloro-4-methylpent-4-enyl]-9-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methylnona-2,6-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3e34fcb0-8575-11ee-a1b7-65d4a3864c33.jpg "2D Structure of (2Z,6Z)-2-[(3R)-3-chloro-4-methylpent-4-enyl]-9-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methylnona-2,6-dienoic acid")
| 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 | 98.95% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.55% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.47% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.40% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.29% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.39% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.64% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.44% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.90% | 97.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.43% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.41% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.28% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.88% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.81% | 90.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.05% | 83.57% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.95% | 91.19% |
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 | 163185030 |
| LOTUS | LTS0117584 |
| wikiData | Q104916773 |