7,8-Dimethyl-10-[(3,4,5-trihydroxyoxolan-2-yl)methyl]benzo[g]pteridine-2,4-dione
| Internal ID | b78126cb-ebc5-4853-92b5-a37976539248 |
| Taxonomy | Organoheterocyclic compounds > Pteridines and derivatives > Alloxazines and isoalloxazines > Flavins |
| IUPAC Name | 7,8-dimethyl-10-[(3,4,5-trihydroxyoxolan-2-yl)methyl]benzo[g]pteridine-2,4-dione |
| SMILES (Canonical) | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC4C(C(C(O4)O)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC4C(C(C(O4)O)O)O |
| InChI | InChI=1S/C17H18N4O6/c1-6-3-8-9(4-7(6)2)21(5-10-12(22)13(23)16(25)27-10)14-11(18-8)15(24)20-17(26)19-14/h3-4,10,12-13,16,22-23,25H,5H2,1-2H3,(H,20,24,26) |
| InChI Key | TXUBAQVONCBFAO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18N4O6 |
| Molecular Weight | 374.30 g/mol |
| Exact Mass | 374.12263431 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 7,8-Dimethyl-10-[(3,4,5-trihydroxyoxolan-2-yl)methyl]benzo[g]pteridine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/78-dimethyl-10-345-trihydroxyoxolan-2-ylmethylbenzogpteridine-24-dione.jpg "2D Structure of 7,8-Dimethyl-10-[(3,4,5-trihydroxyoxolan-2-yl)methyl]benzo[g]pteridine-2,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.72% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.31% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.92% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.22% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.23% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.15% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.60% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.20% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.95% | 90.08% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.64% | 93.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.50% | 95.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.10% | 80.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.80% | 94.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.75% | 86.92% |
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.
| Albizia julibrissin |
| PubChem | 162894305 |
| LOTUS | LTS0169334 |
| wikiData | Q105267004 |