5,10-dihydroxy-2-methoxy-7-methyl-9-[(6R)-1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]anthracene-1,4-dione
Internal ID | 6d92fe4d-4eb7-4dd1-9c3c-edcc11eb85a0 |
Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
IUPAC Name | 5,10-dihydroxy-2-methoxy-7-methyl-9-[(6R)-1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]anthracene-1,4-dione |
SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C=C(C(=O)C3=C2C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4OC)O)O)OC)O |
SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C=C(C(=O)C3=C2C4=C(C5=C(C6=C(C[C@@](CC6=O)(C)O)C=C5C=C4OC)O)O)OC)O |
InChI | InChI=1S/C32H26O10/c1-12-5-15-23(16(33)6-12)31(39)25-17(34)9-20(42-4)28(36)27(25)24(15)26-19(41-3)8-13-7-14-10-32(2,40)11-18(35)21(14)29(37)22(13)30(26)38/h5-9,33,37-40H,10-11H2,1-4H3/t32-/m1/s1 |
InChI Key | KNJWIJRELUDGDV-JGCGQSQUSA-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) | 171.00 Ų |
XlogP | 5.10 |
There are no found synonyms. |
![2D Structure of 5,10-dihydroxy-2-methoxy-7-methyl-9-[(6R)-1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]anthracene-1,4-dione 2D Structure of 5,10-dihydroxy-2-methoxy-7-methyl-9-[(6R)-1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]anthracene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7a87cd80-83d8-11ee-a456-19a58a69e857.jpg)
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 | 99.63% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.65% | 85.14% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 96.15% | 92.68% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.92% | 95.56% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.49% | 93.99% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.41% | 92.94% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.32% | 94.00% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.89% | 94.75% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.17% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.81% | 99.23% |
CHEMBL2581 | P07339 | Cathepsin D | 90.07% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.72% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.29% | 86.33% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.20% | 96.21% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 88.49% | 96.67% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.37% | 89.63% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.93% | 91.49% |
CHEMBL2535 | P11166 | Glucose transporter | 86.79% | 98.75% |
CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 86.27% | 98.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.58% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.38% | 99.15% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.28% | 91.79% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.89% | 93.03% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.13% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.09% | 90.00% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.21% | 92.38% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.16% | 96.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.08% | 91.03% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.89% | 91.07% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.17% | 93.40% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.03% | 94.42% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.72% | 96.90% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.31% | 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.
Senna sophera |
PubChem | 162880128 |
LOTUS | LTS0113543 |
wikiData | Q105143445 |