(3E)-10-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-3,7-dimethyl-2-(2-methylprop-1-enyl)deca-3,7-dienoic acid
| Internal ID | c3ad42ed-e437-4e23-a535-33ac8f7e0dc5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3E)-10-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-3,7-dimethyl-2-(2-methylprop-1-enyl)deca-3,7-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O4/c1-18(2)15-24(26(29)30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)25(22)31-27/h10-11,15-17,24,28H,7-9,12-14H2,1-6H3,(H,29,30)/b19-10?,20-11+/t24?,27-/m1/s1 |
| InChI Key | XZBFFTFZGNJTEM-LYUYJMKPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O4 |
| Molecular Weight | 426.60 g/mol |
| Exact Mass | 426.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of (3E)-10-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-3,7-dimethyl-2-(2-methylprop-1-enyl)deca-3,7-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3006c100-85ff-11ee-97ad-3f1768c89a5e.jpg "2D Structure of (3E)-10-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-3,7-dimethyl-2-(2-methylprop-1-enyl)deca-3,7-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 | 99.18% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.49% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.67% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.54% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.26% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.75% | 97.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.48% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.29% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.26% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.47% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.55% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.27% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.79% | 95.50% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.57% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.77% | 93.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.41% | 85.00% |
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.
| There are no matching plants. |
| PubChem | 162893364 |
| LOTUS | LTS0214425 |
| wikiData | Q105344796 |