(1R,3S,4R)-4-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
| Internal ID | 61cfc800-f212-4195-ae95-7c86c9f7821d |
| Taxonomy | Phenylpropanoids and polyketides > Isochromanequinones > Benzoisochromanequinones |
| IUPAC Name | (1R,3S,4R)-4-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione |
| SMILES (Canonical) | CC1C(C2=C(C(O1)C)C(=O)C3=C(C2=O)C=CC=C3OC)O |
| SMILES (Isomeric) | C[C@H]1[C@@H](C2=C([C@H](O1)C)C(=O)C3=C(C2=O)C=CC=C3OC)O |
| InChI | InChI=1S/C16H16O5/c1-7-11-13(14(17)8(2)21-7)15(18)9-5-4-6-10(20-3)12(9)16(11)19/h4-8,14,17H,1-3H3/t7-,8+,14+/m1/s1 |
| InChI Key | WKNIPFDPSCAKRN-KXEKKFMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O5 |
| Molecular Weight | 288.29 g/mol |
| Exact Mass | 288.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (1R,3S,4R)-4-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1r3s4r-4-hydroxy-9-methoxy-13-dimethyl-34-dihydro-1h-benzogisochromene-510-dione.jpg "2D Structure of (1R,3S,4R)-4-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.71% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.57% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.56% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.22% | 99.23% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.36% | 94.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.88% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.46% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.95% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.66% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.28% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.00% | 96.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.86% | 96.86% |
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.
| Eleutherine bulbosa |
| Viburnum odoratissimum var. awabuki |
| Viburnum sieboldii |
| PubChem | 162993454 |
| LOTUS | LTS0175296 |
| wikiData | Q105350966 |