1,8-dihydroxy-6-methyl-2-[(1R,3S)-5,7,9-trimethoxy-1,3-dimethyl-10-oxo-3,4-dihydro-1H-benzo[g]isochromen-5-yl]anthracene-9,10-dione
| Internal ID | c0c496f5-bc63-439f-9583-762b891a7205 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,8-dihydroxy-6-methyl-2-[(1R,3S)-5,7,9-trimethoxy-1,3-dimethyl-10-oxo-3,4-dihydro-1H-benzo[g]isochromen-5-yl]anthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H30O9/c1-14-9-19-26(23(34)10-14)32(38)27-18(29(19)35)7-8-20(30(27)36)33(41-6)21-11-15(2)42-16(3)25(21)31(37)28-22(33)12-17(39-4)13-24(28)40-5/h7-10,12-13,15-16,34,36H,11H2,1-6H3/t15-,16+,33?/m0/s1 |
| InChI Key | XWGVAZYMLDVIDS-FOCZCJQRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H30O9 |
| Molecular Weight | 570.60 g/mol |
| Exact Mass | 570.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 1,8-dihydroxy-6-methyl-2-[(1R,3S)-5,7,9-trimethoxy-1,3-dimethyl-10-oxo-3,4-dihydro-1H-benzo[g]isochromen-5-yl]anthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/88276df0-857b-11ee-a515-b5a7253a5b30.jpg "2D Structure of 1,8-dihydroxy-6-methyl-2-[(1R,3S)-5,7,9-trimethoxy-1,3-dimethyl-10-oxo-3,4-dihydro-1H-benzo[g]isochromen-5-yl]anthracene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.29% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.04% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.10% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.49% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.32% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.20% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.18% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.09% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.72% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.00% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.86% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.09% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.08% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.87% | 91.19% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.30% | 82.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.18% | 97.14% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 84.04% | 96.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.44% | 96.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.84% | 97.36% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.84% | 91.03% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.71% | 96.86% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.92% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.60% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.48% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.46% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.06% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.84% | 100.00% |
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 parvifolia |
| PubChem | 101889640 |
| LOTUS | LTS0128708 |
| wikiData | Q104084944 |