3,4'-Dihydroxy-3',5,7-trimethoxyflavan
| Internal ID | 7c1c705d-b4a6-438e-923e-cacafbf7d6b2 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins |
| IUPAC Name | 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol |
| SMILES (Canonical) | COC1=CC2=C(CC(C(O2)C3=CC(=C(C=C3)O)OC)O)C(=C1)OC |
| SMILES (Isomeric) | COC1=CC2=C(CC(C(O2)C3=CC(=C(C=C3)O)OC)O)C(=C1)OC |
| InChI | InChI=1S/C18H20O6/c1-21-11-7-15(22-2)12-9-14(20)18(24-16(12)8-11)10-4-5-13(19)17(6-10)23-3/h4-8,14,18-20H,9H2,1-3H3 |
| InChI Key | IJCWCJRLHJAVFD-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C18H20O6 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 1.30 |
| 3,4'-Dihydroxy-3,5',7-trimethoxyflavan |
| 3,4/'-Dihydroxy-3/',5,7-trimethoxyflavan |
| 2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol |
| 3,4'-Dihydroxy-3',5,7-trimethoxyflavan |
| 2H-1-Benzopyran-3-ol,3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-,(2R-cis)- |
| 2-(4-Hydroxy-3-methoxyphenyl)-5,7-dimethoxychroman-3-ol |
| SCHEMBL3805650 |
| AKOS022184710 |
| 4'-hydroxy-5,7,3'-trimethoxyflavan-3-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 | 98.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.41% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.43% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.10% | 97.09% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.31% | 88.48% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.07% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.28% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.08% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.24% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.07% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.27% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.57% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.95% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.38% | 94.45% |
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.
| Cinnamomum camphora |
| Cinnamomum kotoense |
| Dendroviguiera quinqueradiata |
| Lindera umbellata |
| PubChem | 68795440 |
| LOTUS | LTS0080847 |
| wikiData | Q105113892 |