8-(3,4-Dimethoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
| Internal ID | b59994cb-c768-4f4f-9e28-63ab0097834f |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 8-(3,4-dimethoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol |
| SMILES (Canonical) | CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)OC)OC)O)OC |
| SMILES (Isomeric) | CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)OC)OC)O)OC |
| InChI | InChI=1S/C21H26O4/c1-12-8-15-10-19(24-4)17(22)11-16(15)21(13(12)2)14-6-7-18(23-3)20(9-14)25-5/h6-7,9-13,21-22H,8H2,1-5H3 |
| InChI Key | HGBHJZOMIICOBK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 4.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.40% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.24% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.98% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.98% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.57% | 91.79% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.79% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.93% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.88% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.05% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.98% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.78% | 88.48% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.38% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.91% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.30% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.08% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.75% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.67% | 99.17% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.94% | 96.86% |
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.
| Bicuiba oleifera |
| PubChem | 85274487 |
| LOTUS | LTS0182648 |
| wikiData | Q105027670 |