2,7-Dimethyl-6-(3-methylbut-2-enyl)-2-(4-methylpenta-1,3-dienyl)-3,4-dihydrochromen-5-ol
| Internal ID | c369a0ab-8e58-4527-8551-c5177f40ae2e |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 2,7-dimethyl-6-(3-methylbut-2-enyl)-2-(4-methylpenta-1,3-dienyl)-3,4-dihydrochromen-5-ol |
| SMILES (Canonical) | CC1=CC2=C(CCC(O2)(C)C=CC=C(C)C)C(=C1CC=C(C)C)O |
| SMILES (Isomeric) | CC1=CC2=C(CCC(O2)(C)C=CC=C(C)C)C(=C1CC=C(C)C)O |
| InChI | InChI=1S/C22H30O2/c1-15(2)8-7-12-22(6)13-11-19-20(24-22)14-17(5)18(21(19)23)10-9-16(3)4/h7-9,12,14,23H,10-11,13H2,1-6H3 |
| InChI Key | ORUDNNWDGASPOM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O2 |
| Molecular Weight | 326.50 g/mol |
| Exact Mass | 326.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
| 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 | 99.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.76% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.66% | 94.73% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.67% | 97.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.19% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.27% | 91.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.08% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.87% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.33% | 89.00% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 81.92% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.82% | 96.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.12% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.80% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.13% | 95.89% |
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.
| Peperomia clusiifolia |
| Peperomia obtusifolia |
| PubChem | 72761752 |
| LOTUS | LTS0215115 |
| wikiData | Q104193679 |