4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethyl-3,4-dihydro-1H-naphthalene-2,6-diol
| Internal ID | bd6ef7b4-876b-466a-8e1c-42fe27a0f36e |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethyl-3,4-dihydro-1H-naphthalene-2,6-diol |
| SMILES (Canonical) | CC1C(C2=CC(=C(C=C2CC1(C)O)OC)O)C3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CC1C(C2=CC(=C(C=C2CC1(C)O)OC)O)C3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C20H24O5/c1-11-19(12-5-6-15(21)17(7-12)24-3)14-9-16(22)18(25-4)8-13(14)10-20(11,2)23/h5-9,11,19,21-23H,10H2,1-4H3 |
| InChI Key | PEDLAIQMBCAQMY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
| 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 | 99.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.39% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.27% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.02% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.92% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.14% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.83% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.92% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.60% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.96% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.44% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.00% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.21% | 97.25% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.92% | 91.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.41% | 92.88% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.26% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.08% | 88.48% |
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.
| Laguncularia racemosa |
| PubChem | 75113226 |
| LOTUS | LTS0200291 |
| wikiData | Q105206926 |