Citbismine B
| Internal ID | 27379083-b35d-4633-a41f-7efa33fd5e28 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| SMILES (Canonical) | CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6)C(=C(C=C7)OC)OC)OC)O |
| SMILES (Isomeric) | CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6)C(=C(C=C7)OC)OC)OC)O |
| InChI | InChI=1S/C36H34N2O11/c1-36(2,44)35-26(24-21(49-35)13-18(40)23-29(24)38(3)28-15(31(23)42)8-10-17(39)33(28)47-6)25-20(46-5)12-16-22(32(25)43)30(41)14-9-11-19(45-4)34(48-7)27(14)37-16/h8-13,26,35,39-40,43-44H,1-7H3,(H,37,41) |
| InChI Key | VNOSLNLEVFTHKG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H34N2O11 |
| Molecular Weight | 670.70 g/mol |
| Exact Mass | 670.21625990 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 5.50 |
| CHEBI:172794 |
| 5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-10-methoxy-11-methyl-1,2-dihydrouro[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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.14% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.07% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.99% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.97% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.41% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.09% | 91.11% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 95.30% | 80.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.23% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.97% | 91.49% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 93.94% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.56% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.43% | 89.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.13% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.05% | 96.09% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.91% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.83% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.47% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.91% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.87% | 98.59% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.52% | 92.68% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.89% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.54% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.88% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.47% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.66% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.36% | 96.86% |
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.
| Citrus maxima |
| PubChem | 131753142 |
| LOTUS | LTS0028123 |
| wikiData | Q105289823 |