Gravacridonetriol
| Internal ID | 2fd5866b-13a5-4f83-9c08-74556a2de6c3 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 5-hydroxy-11-methyl-2-(1,2,3-trihydroxypropan-2-yl)-1,2-dihydrofuro[2,3-c]acridin-6-one |
| SMILES (Canonical) | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(CO)(CO)O |
| SMILES (Isomeric) | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(CO)(CO)O |
| InChI | InChI=1S/C19H19NO6/c1-20-12-5-3-2-4-10(12)18(24)16-13(23)7-14-11(17(16)20)6-15(26-14)19(25,8-21)9-22/h2-5,7,15,21-23,25H,6,8-9H2,1H3 |
| InChI Key | GJDBWKOONRHBIM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H19NO6 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 1.20 |
| 2-[1,2-Dihydroxy-1-(hydroxymethyl)ethyl]-1,11-dihydro-5-hydroxy-11-methylfuro[2,3-c]acridin-6(2H)-one |
| Gravacridontriol |
| CHEMBL556882 |
| CHEBI:169444 |
| DTXSID101113047 |
| 59086-94-1 |
| 5-hydroxy-11-methyl-2-(1,2,3-trihydroxypropan-2-yl)-1,2-dihydrouro[2,3-c]acridin-6-one |
| 5-hydroxy-11-methyl-2-(1,2,3-trihydroxypropan-2-yl)-1H,2H,6H,11H-furo[2,3-c]acridin-6-one |
| 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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.18% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.89% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.15% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.23% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.18% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.24% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.10% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.27% | 97.25% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.10% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.33% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.04% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.10% | 95.83% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.74% | 80.71% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.95% | 96.37% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.46% | 94.00% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 83.20% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.03% | 94.73% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.87% | 85.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.15% | 98.75% |
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.
| Ruta graveolens |
| Thamnosma montana |
| PubChem | 21586648 |
| LOTUS | LTS0127873 |
| wikiData | Q104397162 |