2-(4,8-Dimethylnona-3,7-dien-1-yl)-2-methyl-2H-1-benzopyran-6-carboxylic acid
| Internal ID | ec61c157-e621-45f8-9de3-653205e7132d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 2-(4,8-dimethylnona-3,7-dienyl)-2-methylchromene-6-carboxylic acid |
| SMILES (Canonical) | CC(=CCCC(=CCCC1(C=CC2=C(O1)C=CC(=C2)C(=O)O)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCCC1(C=CC2=C(O1)C=CC(=C2)C(=O)O)C)C)C |
| InChI | InChI=1S/C22H28O3/c1-16(2)7-5-8-17(3)9-6-13-22(4)14-12-18-15-19(21(23)24)10-11-20(18)25-22/h7,9-12,14-15H,5-6,8,13H2,1-4H3,(H,23,24) |
| InChI Key | MSDAWPKHHPLFBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O3 |
| Molecular Weight | 340.50 g/mol |
| Exact Mass | 340.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 6.20 |
| DTXSID30763398 |
| 2-(4,8-Dimethylnona-3,7-dien-1-yl)-2-methyl-2H-1-benzopyran-6-carboxylic 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 | 95.91% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.78% | 92.08% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 95.12% | 87.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.49% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.16% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.65% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.46% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.25% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.96% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.38% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.54% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.87% | 96.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.51% | 81.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.37% | 90.17% |
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.
| Piper auritum |
| PubChem | 71335429 |
| LOTUS | LTS0109728 |
| wikiData | Q82719280 |