1,6,7-trimethoxy-N,N-dimethyl-8-(methyldisulfanyl)-3,4-dihydro-1H-isothiochromen-5-amine
| Internal ID | 676f1fde-1d34-410e-86cc-05121bedf188 |
| Taxonomy | Organoheterocyclic compounds > Isothiochromanes |
| IUPAC Name | 1,6,7-trimethoxy-N,N-dimethyl-8-(methyldisulfanyl)-3,4-dihydro-1H-isothiochromen-5-amine |
| SMILES (Canonical) | CN(C)C1=C(C(=C(C2=C1CCSC2OC)SSC)OC)OC |
| SMILES (Isomeric) | CN(C)C1=C(C(=C(C2=C1CCSC2OC)SSC)OC)OC |
| InChI | InChI=1S/C15H23NO3S3/c1-16(2)11-9-7-8-21-15(19-5)10(9)14(22-20-6)13(18-4)12(11)17-3/h15H,7-8H2,1-6H3 |
| InChI Key | VGCDDRRWSOIDJA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H23NO3S3 |
| Molecular Weight | 361.50 g/mol |
| Exact Mass | 361.08400712 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.00 |
| 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 | 94.85% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.12% | 95.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.03% | 92.68% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.26% | 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.
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| There are no matching plants. |
| PubChem | 14759717 |
| LOTUS | LTS0220918 |
| wikiData | Q105285719 |