2,8,15-Triacetyl-1,7,16-trihydroxy-3,9,14-trimethyltrinaphthylene-5,6,11,12,17,18-hexone
| Internal ID | afa782cc-312b-4eb7-b3ca-2c329ff5830e |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Triphenylenes |
| IUPAC Name | 2,8,15-triacetyl-1,7,16-trihydroxy-3,9,14-trimethyltrinaphthylene-5,6,11,12,17,18-hexone |
| SMILES (Canonical) | CC1=CC2=C(C(=C1C(=O)C)O)C(=O)C3=C4C(=C5C(=C3C2=O)C(=O)C6=C(C5=O)C(=C(C(=C6)C)C(=O)C)O)C(=O)C7=C(C4=O)C=C(C(=C7O)C(=O)C)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1C(=O)C)O)C(=O)C3=C4C(=C5C(=C3C2=O)C(=O)C6=C(C5=O)C(=C(C(=C6)C)C(=O)C)O)C(=O)C7=C(C4=O)C=C(C(=C7O)C(=O)C)C |
| InChI | InChI=1S/C39H24O12/c1-10-7-16-22(34(46)19(10)13(4)40)37(49)28-25(31(16)43)26-29(38(50)23-17(32(26)44)8-11(2)20(14(5)41)35(23)47)30-27(28)33(45)18-9-12(3)21(15(6)42)36(48)24(18)39(30)51/h7-9,46-48H,1-6H3 |
| InChI Key | SLIWXLDUOMWBMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H24O12 |
| Molecular Weight | 684.60 g/mol |
| Exact Mass | 684.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 5.50 |
| 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 | 96.17% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.45% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.72% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.03% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.62% | 93.65% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.20% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.12% | 85.14% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.96% | 94.42% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.39% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.91% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.14% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.13% | 94.45% |
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.
| Dianella revoluta |
| PubChem | 101967038 |
| LOTUS | LTS0076982 |
| wikiData | Q105255350 |