(+)-3,4-dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione
| Internal ID | 643cb410-ddbc-4860-8ac1-48932832fec6 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | (3R)-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
| SMILES (Canonical) | CC1(CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O)O |
| SMILES (Isomeric) | C[C@]1(CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O)O |
| InChI | InChI=1S/C19H14O5/c1-19(24)7-9-5-6-11-16(14(9)13(21)8-19)18(23)10-3-2-4-12(20)15(10)17(11)22/h2-6,20,24H,7-8H2,1H3/t19-/m1/s1 |
| InChI Key | UGEKKXLEYACFTD-LJQANCHMSA-N |
| Popularity | 27 references in papers |
| Molecular Formula | C19H14O5 |
| Molecular Weight | 322.30 g/mol |
| Exact Mass | 322.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 91.70 Ų |
| XlogP | 2.40 |
| (-)-tetrangomycin |
| CHEBI:32211 |
| (3R)-3,8-dihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione |
| (+)-3,4-dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene- 1,7,12(2H)-trione |
| CHEMBL1668772 |
| (+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione |
| Q27114829 |
| (3R)-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.07% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.54% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.50% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.94% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.24% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.16% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.69% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.46% | 82.69% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.55% | 96.67% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.70% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.68% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.48% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.21% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.12% | 99.15% |
| CHEMBL240 | Q12809 | HERG | 81.83% | 89.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.78% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.45% | 93.40% |
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 | 11738774 |
| LOTUS | LTS0084873 |
| wikiData | Q27114829 |