6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Internal ID | 66c85fff-fd9a-4378-93da-f163b8912810 |
Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
IUPAC Name | 6-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione |
SMILES (Canonical) | CC1CC2=C(C(O1)C)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)C4=C(C=C(C5=C4C(=O)C6=C(C5=O)C(=CC(=C6)C)O)O)OC |
SMILES (Isomeric) | CC1CC2=C(C(O1)C)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)C4=C(C=C(C5=C4C(=O)C6=C(C5=O)C(=CC(=C6)C)O)O)OC |
InChI | InChI=1S/C32H26O10/c1-11-6-14-22(16(33)7-11)32(39)24-18(35)10-20(41-5)26(28(24)29(14)36)25-19(40-4)9-17(34)23-27(25)30(37)15-8-12(2)42-13(3)21(15)31(23)38/h6-7,9-10,12-13,33-35H,8H2,1-5H3 |
InChI Key | DSPUCOYMWZTREC-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H26O10 |
Molecular Weight | 570.50 g/mol |
Exact Mass | 570.15259702 g/mol |
Topological Polar Surface Area (TPSA) | 157.00 Ų |
XlogP | 4.90 |
There are no found synonyms. |
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 | 97.26% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.55% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 95.49% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.07% | 99.23% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.15% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.13% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.05% | 96.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.60% | 92.94% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.23% | 85.14% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.56% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.40% | 90.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.90% | 97.14% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 85.69% | 91.49% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.37% | 91.19% |
CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.89% | 96.86% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.07% | 96.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.57% | 86.33% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.72% | 96.21% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.48% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.92% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.71% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.65% | 97.09% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.55% | 96.95% |
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 | 162848371 |
LOTUS | LTS0257999 |
wikiData | Q104987955 |