(2S,3S,4R)-2-hydroxy-4-(6-hydroxy-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydronaphthalen-1-one
| Internal ID | a701914f-3d97-4a6a-9822-cc1a1a843d67 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | (2S,3S,4R)-2-hydroxy-4-(6-hydroxy-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydronaphthalen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H22O7/c1-10-19(13-7-17-18(8-14(13)22)28-9-27-17)11-5-15(25-3)16(26-4)6-12(11)20(23)21(10,2)24/h5-8,10,19,22,24H,9H2,1-4H3/t10-,19+,21-/m0/s1 |
| InChI Key | OZRMWBSRSFROHU-REONUQHCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O7 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.58% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.46% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.83% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.79% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.35% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.71% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.24% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.05% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.85% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.36% | 94.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.01% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.26% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.90% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.27% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.97% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.41% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.19% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.84% | 93.99% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.13% | 94.80% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.84% | 91.07% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.78% | 99.15% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.09% | 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.
| Virola elongata |
| PubChem | 14655060 |
| LOTUS | LTS0191020 |
| wikiData | Q105204056 |