Chrestifoline A
| Internal ID | 1f402dd3-df41-48b1-b972-6957b3ba854e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 1-methoxy-4-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methyl-9H-carbazole |
| SMILES (Canonical) | CC1=CC(=C2C(=C1CC3=CC4=C(C(=C3)OC)NC5=CC=CC=C54)C6=CC=CC=C6N2)OC |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1CC3=CC4=C(C(=C3)OC)NC5=CC=CC=C54)C6=CC=CC=C6N2)OC |
| InChI | InChI=1S/C28H24N2O2/c1-16-12-24(31-2)28-26(19-9-5-7-11-23(19)30-28)20(16)13-17-14-21-18-8-4-6-10-22(18)29-27(21)25(15-17)32-3/h4-12,14-15,29-30H,13H2,1-3H3 |
| InChI Key | DOOBXUMQHNVKJS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H24N2O2 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 50.00 Ų |
| XlogP | 7.10 |
| NSC654293 |
| CHEMBL524067 |
| NSC-654293 |
| NCI60_018857 |
| 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 | 95.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 94.40% | 92.98% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.04% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 90.40% | 89.76% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.47% | 93.99% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.75% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.42% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.17% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.09% | 92.67% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.63% | 91.71% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 87.62% | 97.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.43% | 94.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.85% | 87.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.18% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.46% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.29% | 90.20% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.01% | 85.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.85% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.92% | 99.17% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.43% | 89.44% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.16% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.96% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.83% | 94.73% |
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.
| Murraya euchrestifolia |
| Murraya koenigii |
| PubChem | 375159 |
| NPASS | NPC199667 |
| ChEMBL | CHEMBL524067 |
| LOTUS | LTS0068546 |
| wikiData | Q104399764 |