Combretastatin B-4
| Internal ID | 393b72e6-0acd-4c95-bdd9-85c464bfd82a |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 4-[2-(3,5-dimethoxyphenyl)ethyl]benzene-1,2-diol |
| SMILES (Canonical) | COC1=CC(=CC(=C1)CCC2=CC(=C(C=C2)O)O)OC |
| SMILES (Isomeric) | COC1=CC(=CC(=C1)CCC2=CC(=C(C=C2)O)O)OC |
| InChI | InChI=1S/C16H18O4/c1-19-13-7-12(8-14(10-13)20-2)4-3-11-5-6-15(17)16(18)9-11/h5-10,17-18H,3-4H2,1-2H3 |
| InChI Key | PBRZRNRAYCSTKB-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C16H18O4 |
| Molecular Weight | 274.31 g/mol |
| Exact Mass | 274.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 1.90 |
| Combretastatin B4 |
| 4-[2-(3,5-dimethoxyphenyl)ethyl]benzene-1,2-diol |
| 116518-75-3 |
| 1,2-Benzenediol, 4-(2-(3,5-dimethoxyphenyl)ethyl)- |
| CHEMBL487612 |
| DTXSID50151415 |
| FT-0756829 |
| 4-[2-(3,5-Dimethoxyphenyl)ethyl]-1,2-benzenediol |
| 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 | 97.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.69% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.29% | 92.68% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.53% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.22% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.92% | 98.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.25% | 90.24% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.38% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.89% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.34% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.94% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.73% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.64% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.09% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.08% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.17% | 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.
| Combretum caffrum |
| PubChem | 146633 |
| NPASS | NPC136319 |
| ChEMBL | CHEMBL487612 |
| LOTUS | LTS0154046 |
| wikiData | Q83017865 |