2'-O-Demethylbidwillol B
| Internal ID | 11a142c5-c539-48a2-8bc2-129f0d4e0a0e |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)C2=CC3=C(O2)C=C(C=C3)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)C2=CC3=C(O2)C=C(C=C3)O)O)C |
| InChI | InChI=1S/C19H18O4/c1-11(2)3-6-14-16(21)8-7-15(19(14)22)18-9-12-4-5-13(20)10-17(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3 |
| InChI Key | JTWAOWXXBMXCGP-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C19H18O4 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 4.80 |
| SCHEMBL24074949 |
| 2'-O-DEMETHYLBIDWILLOL B |
| BDBM50213492 |
| 2-[2'',4''-dihydroxy-3''-(3-methylbut-2-enyl)phenyl]-6-hydroxybenzofuran |
| 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 | 99.04% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.50% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.63% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.62% | 94.73% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.82% | 98.35% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.54% | 98.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.51% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.57% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.77% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.05% | 95.64% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.48% | 91.38% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.92% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.14% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 84.94% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.78% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.54% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.04% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.75% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.56% | 94.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.06% | 85.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.05% | 97.21% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.63% | 83.10% |
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.
| Erythrina addisoniae |
| PubChem | 23655080 |
| LOTUS | LTS0044457 |
| wikiData | Q105135035 |