1,7,13-Trihydroxy-3,9,15-trimethyltrinaphthylene-5,6,11,12,17,18-hexone
| Internal ID | b81671b9-9b0f-4268-a0f2-f25d5dca15af |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Triphenylenes |
| IUPAC Name | 1,7,13-trihydroxy-3,9,15-trimethyltrinaphthylene-5,6,11,12,17,18-hexone |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C4C(=C5C(=C3C2=O)C(=O)C6=C(C5=O)C=C(C=C6O)C)C(=O)C7=C(C4=O)C=C(C=C7O)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C4C(=C5C(=C3C2=O)C(=O)C6=C(C5=O)C=C(C=C6O)C)C(=O)C7=C(C4=O)C=C(C=C7O)C |
| InChI | InChI=1S/C33H18O9/c1-10-4-13-19(16(34)7-10)31(40)25-22(28(13)37)26-24(30(39)14-5-11(2)8-17(35)20(14)32(26)41)27-23(25)29(38)15-6-12(3)9-18(36)21(15)33(27)42/h4-9,34-36H,1-3H3 |
| InChI Key | KAWMYCUCRCYKDE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H18O9 |
| Molecular Weight | 558.50 g/mol |
| Exact Mass | 558.09508215 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 6.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.45% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.24% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.68% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.90% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.52% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.25% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.95% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.88% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.20% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.27% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.13% | 93.03% |
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.
| Diospyros chamaethamnus |
| Diospyros chloroxylon |
| PubChem | 163075263 |
| LOTUS | LTS0089966 |
| wikiData | Q105138009 |