Combretastatin B-3
| Internal ID | 3ea0d958-9a6e-48d9-b2be-d4418e908cd4 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)CCC2=CC(=C(C=C2)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)CCC2=CC(=C(C=C2)O)O |
| InChI | InChI=1S/C17H20O5/c1-20-15-9-12(10-16(21-2)17(15)22-3)5-4-11-6-7-13(18)14(19)8-11/h6-10,18-19H,4-5H2,1-3H3 |
| InChI Key | SFWXNQDSPCKFAW-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H20O5 |
| Molecular Weight | 304.34 g/mol |
| Exact Mass | 304.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.30 |
| Combretastatin B3 |
| 116518-76-4 |
| 4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol |
| CHEMBL485822 |
| DTXSID10151416 |
| 1,2-Benzenediol, 4-(2-(3,4,5-trimethoxyphenyl)ethyl)- |
| 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane |
| 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 | 97.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 91.94% | 92.68% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.69% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.10% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.69% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.41% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.72% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.59% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.56% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.37% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.96% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.31% | 86.92% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.98% | 90.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.00% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.93% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.19% | 96.95% |
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 | 122775 |
| NPASS | NPC208950 |
| ChEMBL | CHEMBL485822 |
| LOTUS | LTS0266824 |
| wikiData | Q83017866 |