(1R)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-1H-isochromene-1,6,8-triol
| Internal ID | 75e48436-24c9-4d64-b8a6-95b8f58f1ce3 |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | (1R)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-1H-isochromene-1,6,8-triol |
| SMILES (Canonical) | CCC(C)C=C(C)C=CC1=CC2=CC(=C(C(=C2C(O1)O)O)C)O |
| SMILES (Isomeric) | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=C(C(=C2[C@@H](O1)O)O)C)O |
| InChI | InChI=1S/C19H24O4/c1-5-11(2)8-12(3)6-7-15-9-14-10-16(20)13(4)18(21)17(14)19(22)23-15/h6-11,19-22H,5H2,1-4H3/b7-6+,12-8+/t11-,19+/m0/s1 |
| InChI Key | HMCCWIXVRSZRCO-GFYBKASGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24O4 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (1R)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-1H-isochromene-1,6,8-triol](https://plantaedb.com/storage/docs/compounds/2023/11/1r-3-1e3e5s-35-dimethylhepta-13-dienyl-7-methyl-1h-isochromene-168-triol.jpg "2D Structure of (1R)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-1H-isochromene-1,6,8-triol")
| 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 | 97.95% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.05% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.73% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.32% | 89.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.18% | 83.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.81% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.74% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.02% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.59% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.36% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.60% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.86% | 94.80% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 83.89% | 96.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.82% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.01% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.56% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.23% | 94.45% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.69% | 95.58% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.65% | 93.65% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.27% | 90.17% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.01% | 99.43% |
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 | 163195001 |
| LOTUS | LTS0043511 |
| wikiData | Q105030445 |