Tetrangulol
| Internal ID | 73bbc742-3390-424f-b0f1-792d9a39bcd1 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | 1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O |
| InChI | InChI=1S/C19H12O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-8,20-21H,1H3 |
| InChI Key | NFUYRESOTVGLRL-UHFFFAOYSA-N |
| Popularity | 24 references in papers |
| Molecular Formula | C19H12O4 |
| Molecular Weight | 304.30 g/mol |
| Exact Mass | 304.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 4.30 |
| 7414-92-8 |
| 1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione |
| 1,8-dihydroxy-3-methyltetraphene-7,12-dione |
| CHEBI:32212 |
| DTXSID90225109 |
| 1,8-Dihydroxy-3-methylbenz(a)anthracene-7,12-dione |
| 1,8-Dihydroxy-3-methylbenzo(a)anthracene-7,12-dione |
| RefChem:188806 |
| DTXCID40147600 |
| NSC194618 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.48% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.65% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.94% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.66% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.47% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.55% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.13% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.78% | 99.15% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.96% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.26% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.00% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.29% | 96.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.73% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.28% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.75% | 93.65% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.47% | 93.31% |
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 | 99188 |
| LOTUS | LTS0010415 |
| wikiData | Q27114830 |