1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-one
| Internal ID | c8ced522-fc55-451c-ba95-718b4d389ab9 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-one |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)OCC=C(C)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)OCC=C(C)C |
| InChI | InChI=1S/C20H20O4/c1-11(2)4-5-24-15-9-14-8-13-6-12(3)7-16(21)18(13)20(23)19(14)17(22)10-15/h4,6-7,9-10,21-22H,5,8H2,1-3H3 |
| InChI Key | KXZGKYKFNCIGHP-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H20O4 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.00 |
| 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 | 97.41% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.58% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.45% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.80% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.82% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.79% | 92.68% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.86% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.68% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.04% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.89% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.63% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.52% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.24% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.50% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.96% | 97.21% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.42% | 93.10% |
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.
| Psorospermum glaberrimum |
| Psorospermum tenuifolium |
| PubChem | 162965892 |
| LOTUS | LTS0119106 |
| wikiData | Q105147608 |