(3S)-3,8,9-trihydroxy-6-methoxy-3-(2-oxopropyl)-2,4-dihydroanthracen-1-one
| Internal ID | 16d04f27-e0e7-46bf-82b2-8797bfccb2ce |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (3S)-3,8,9-trihydroxy-6-methoxy-3-(2-oxopropyl)-2,4-dihydroanthracen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H18O6/c1-9(19)6-18(23)7-11-3-10-4-12(24-2)5-13(20)15(10)17(22)16(11)14(21)8-18/h3-5,20,22-23H,6-8H2,1-2H3/t18-/m1/s1 |
| InChI Key | GDQAGCPSDQTXTM-GOSISDBHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.10 |
| 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 | 99.78% | 91.11% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 97.63% | 92.68% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.50% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.69% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.82% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.56% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.36% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.11% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.36% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.12% | 86.33% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 88.05% | 80.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.88% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.68% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.44% | 91.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.26% | 94.42% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.15% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.70% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.63% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.16% | 91.07% |
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.
| There are no matching plants. |
| PubChem | 101712076 |
| LOTUS | LTS0048416 |
| wikiData | Q105006873 |