5-(1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)-10-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione
| Internal ID | 99d12add-1148-4824-9552-32ddc2b0c99c |
| Taxonomy | Phenylpropanoids and polyketides > Isochromanequinones |
| IUPAC Name | 5-(1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)-10-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione |
| SMILES (Canonical) | CC1CC2=C(C3=C(C(=O)C=C(C3=O)OC)C(=C2C(O1)C)O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=CC(=C6)C)O)O |
| SMILES (Isomeric) | CC1CC2=C(C3=C(C(=O)C=C(C3=O)OC)C(=C2C(O1)C)O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=CC(=C6)C)O)O |
| InChI | InChI=1S/C31H24O9/c1-11-7-17-23(18(32)8-11)31(38)24-15(27(17)34)6-5-14(28(24)35)22-16-9-12(2)40-13(3)21(16)30(37)25-19(33)10-20(39-4)29(36)26(22)25/h5-8,10,12-13,32,35,37H,9H2,1-4H3 |
| InChI Key | JQICCSAZSNANIX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H24O9 |
| Molecular Weight | 540.50 g/mol |
| Exact Mass | 540.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 5-(1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)-10-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1ce75470-863f-11ee-86c0-df54b92fa76a.jpg "2D Structure of 5-(1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)-10-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-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 | 99.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.71% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.11% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.69% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.78% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.96% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.38% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.16% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.57% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.50% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.04% | 85.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.47% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.05% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.30% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.71% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.09% | 96.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.64% | 96.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.45% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.44% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.03% | 96.38% |
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.
| Berchemia floribunda |
| PubChem | 162957600 |
| LOTUS | LTS0060772 |
| wikiData | Q105133491 |