(5R,6S,7R)-5-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2,3-diol
| Internal ID | 8a763304-d1b7-4804-8712-7bb58a479612 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans > 9,9p-dihydroxyaryltetralin lignans |
| IUPAC Name | (5R,6S,7R)-5-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2,3-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C(C(CC3=CC(=C(C=C23)O)O)CO)CO)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]2[C@@H]([C@@H](CC3=CC(=C(C=C23)O)O)CO)CO)O |
| InChI | InChI=1S/C19H22O6/c1-25-18-6-10(2-3-15(18)22)19-13-7-17(24)16(23)5-11(13)4-12(8-20)14(19)9-21/h2-3,5-7,12,14,19-24H,4,8-9H2,1H3/t12-,14+,19+/m0/s1 |
| InChI Key | PGDXMXMJDYPCRB-BBEJJTJUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O6 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 1.70 |
| 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 | 99.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.66% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.01% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.30% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.57% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.60% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.44% | 92.94% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.32% | 88.48% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.78% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.61% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.88% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.51% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.07% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.05% | 92.62% |
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.
| Taxus baccata |
| PubChem | 124708086 |
| LOTUS | LTS0028688 |
| wikiData | Q105208333 |