(E,2S)-9-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnon-6-enoic acid
| Internal ID | 60b2069f-e1de-4812-9653-cbddd4de0699 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (E,2S)-9-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnon-6-enoic acid |
| SMILES (Canonical) | CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCCC(C)C(=O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CCC[C@H](C)C(=O)O)O |
| InChI | InChI=1S/C22H32O4/c1-15(7-5-9-16(2)21(24)25)8-6-11-22(4)12-10-18-14-19(23)13-17(3)20(18)26-22/h8,13-14,16,23H,5-7,9-12H2,1-4H3,(H,24,25)/b15-8+/t16-,22+/m0/s1 |
| InChI Key | BYBSVSPLZOCDCC-DWAIRVLFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (E,2S)-9-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnon-6-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e2s-9-2r-6-hydroxy-28-dimethyl-34-dihydrochromen-2-yl-26-dimethylnon-6-enoic-acid.jpg "2D Structure of (E,2S)-9-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnon-6-enoic 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 | 98.84% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.53% | 99.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.29% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.27% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.32% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.49% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.00% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.60% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.73% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.36% | 97.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.62% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.30% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.13% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.83% | 93.18% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.69% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.21% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.85% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.89% | 89.00% |
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 | 163189621 |
| LOTUS | LTS0120462 |
| wikiData | Q104949126 |