Millinol B
| Internal ID | 4965ba17-54cb-450d-8a42-54932c1883fb |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 2-O-methylated isoflavonoids |
| IUPAC Name | 3-(4-hydroxy-2-methoxyphenyl)-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C=C2C(=C1)CC(CO2)C3=C(C=C(C=C3)O)OC)O |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C=C2C(=C1)CC(CO2)C3=C(C=C(C=C3)O)OC)O |
| InChI | InChI=1S/C21H24O4/c1-5-21(2,3)17-9-13-8-14(12-25-19(13)11-18(17)23)16-7-6-15(22)10-20(16)24-4/h5-7,9-11,14,22-23H,1,8,12H2,2-4H3 |
| InChI Key | DKDWZBOVVLDHPS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O4 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.90 |
| (3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan |
| CHEBI:179320 |
| LMPK12080010 |
| 3-(4-hydroxy-2-methoxyphenyl)-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-7-ol |
| 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 | 98.08% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.54% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.36% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.32% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.89% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.75% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.63% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.16% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.33% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.83% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.00% | 92.94% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.29% | 99.35% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.99% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.31% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.24% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.65% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.28% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 82.79% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.77% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.07% | 91.19% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.87% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.44% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.23% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.14% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.78% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.55% | 97.25% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.20% | 85.00% |
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.
| Endosamara racemosa |
| PubChem | 14237675 |
| LOTUS | LTS0144379 |
| wikiData | Q104402689 |