(7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol
| Internal ID | 64c64ef7-cd21-45fa-adfb-88aab2479823 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol |
| SMILES (Canonical) | CC1C(C2=CC(=C(C=C2C=C1C)OC)O)C3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CC1C(C2=CC(=C(C=C2C=C1C)OC)O)C3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C20H22O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-10,12,20-22H,1-4H3 |
| InChI Key | XPWUEOIRZVEGJK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.90 |
| XPWUEOIRZVEGJK-UHFFFAOYSA-N |
| trans-1,2-Dihydrodehydroguaiaretic acid |
| (+)-trans-1,2-Dihydrodehydroguaiaretic acid |
| (7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol |
| 2-Naphthalenol, 7,8-dihydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-, (7R,8S)-rel-(+)- |
| 2-Naphthalenol, 7,8-dihydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-, trans-(+)- |
| 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 | 97.40% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.10% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.60% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.86% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.24% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.00% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.47% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.03% | 86.33% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.83% | 88.48% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.69% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.71% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.33% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 80.97% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.87% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.59% | 99.17% |
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.
| Myristica fragrans |
| PubChem | 14655081 |
| LOTUS | LTS0031305 |
| wikiData | Q105339032 |