1,8-dihydroxy-2-(10-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-6-methylanthracene-9,10-dione
| Internal ID | 3b7ff7e3-c7aa-4c8f-983e-f2c7bdfde20f |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 1,8-dihydroxy-2-(10-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-6-methylanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H26O7/c1-13-10-20-25(21(32)11-13)31(36)27-18(28(20)33)9-8-17(29(27)34)24-16-6-5-7-22(37-4)26(16)30(35)23-15(3)38-14(2)12-19(23)24/h5-11,14-15,32,34-35H,12H2,1-4H3 |
| InChI Key | LUUVNJTYZPMEDC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H26O7 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 1,8-dihydroxy-2-(10-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-6-methylanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/dbce54c0-8838-11ee-98c5-d9a669a4e527.jpg "2D Structure of 1,8-dihydroxy-2-(10-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-6-methylanthracene-9,10-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.56% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.53% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.68% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.20% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.28% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.54% | 98.75% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 93.74% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.97% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.91% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.32% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.11% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.76% | 85.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.53% | 96.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.28% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.74% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.97% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.36% | 91.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.15% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.08% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.29% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.47% | 96.67% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.45% | 93.31% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.37% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.35% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.19% | 90.71% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.32% | 94.03% |
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.
| Karwinskia humboldtiana |
| PubChem | 101682223 |
| LOTUS | LTS0078677 |
| wikiData | Q105157666 |