(7S,8S,9R)-9-(1,3-benzodioxol-5-yl)-9-hydroxy-7,8-dimethyl-7,8-dihydrobenzo[g][1,3]benzodioxol-6-one
| Internal ID | fc707d2b-2211-4666-9e76-61d606da23c3 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | (7S,8S,9R)-9-(1,3-benzodioxol-5-yl)-9-hydroxy-7,8-dimethyl-7,8-dihydrobenzo[g][1,3]benzodioxol-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H18O6/c1-10-11(2)20(22,12-3-5-14-16(7-12)25-8-23-14)17-13(18(10)21)4-6-15-19(17)26-9-24-15/h3-7,10-11,22H,8-9H2,1-2H3/t10-,11-,20+/m0/s1 |
| InChI Key | YQLKOOGRXMGOOT-SULUTDIPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (7S,8S,9R)-9-(1,3-benzodioxol-5-yl)-9-hydroxy-7,8-dimethyl-7,8-dihydrobenzo[g][1,3]benzodioxol-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/7s8s9r-9-13-benzodioxol-5-yl-9-hydroxy-78-dimethyl-78-dihydrobenzog13benzodioxol-6-one.jpg "2D Structure of (7S,8S,9R)-9-(1,3-benzodioxol-5-yl)-9-hydroxy-7,8-dimethyl-7,8-dihydrobenzo[g][1,3]benzodioxol-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.20% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.19% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.97% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.75% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.91% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.07% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.61% | 86.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.20% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.77% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.33% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.73% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.11% | 97.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.29% | 90.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.90% | 99.23% |
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 |
| Virola sebifera |
| PubChem | 14655062 |
| LOTUS | LTS0086843 |
| wikiData | Q105352274 |