(S)-3,4-Dihydro-3,8,9-trihydroxy-6-methoxy-3-methyl-1(2H)-anthracene
| Internal ID | 8a825504-4307-49de-87cf-7be67b6f248e |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (3S)-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one |
| SMILES (Canonical) | CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)OC)O |
| SMILES (Isomeric) | C[C@@]1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)OC)O |
| InChI | InChI=1S/C16H16O5/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)13(8)15(19)14(9)12(18)7-16/h3-5,17,19-20H,6-7H2,1-2H3/t16-/m0/s1 |
| InChI Key | BFMIUBHJKFRWIV-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O5 |
| Molecular Weight | 288.29 g/mol |
| Exact Mass | 288.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.30 |
| SCHEMBL16226381 |
| (S)-3,4-Dihydro-3,8,9-trihydroxy-6-methoxy-3-methyl-1(2H)-anthracene |
| 1(2H)-Anthracene, 3,4-dihydro-3,8,9-trihydroxy-6-methoxy-3-methyl-, (S)- |
| 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 | 99.64% | 91.11% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 97.34% | 92.68% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.13% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.67% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.77% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.37% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.75% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.51% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.76% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.34% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.80% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.76% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.33% | 92.94% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.55% | 80.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.11% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.84% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.99% | 99.23% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.95% | 96.21% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.57% | 94.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.46% | 98.75% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 81.19% | 81.14% |
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 didymobotrya |
| Senna multiglandulosa |
| Senna obtusifolia |
| Senna singueana |
| Senna sophera |
| PubChem | 13368875 |
| LOTUS | LTS0264699 |
| wikiData | Q104934493 |