Benzylsulfinylsulfanylmethylbenzene
| Internal ID | 9fc6d36b-2a23-4bd4-a2c6-c213cd4f62bf |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | benzylsulfinylsulfanylmethylbenzene |
| SMILES (Canonical) | C1=CC=C(C=C1)CSS(=O)CC2=CC=CC=C2 |
| SMILES (Isomeric) | C1=CC=C(C=C1)CSS(=O)CC2=CC=CC=C2 |
| InChI | InChI=1S/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChI Key | VUJONJHZKSZFSA-UHFFFAOYSA-N |
| Popularity | 12 references in papers |
| Molecular Formula | C14H14OS2 |
| Molecular Weight | 262.40 g/mol |
| Exact Mass | 262.04860741 g/mol |
| Topological Polar Surface Area (TPSA) | 61.60 Ų |
| XlogP | 3.00 |
| 16302-98-0 |
| S-benzyl phenylmethanesulfinothioate |
| CHEMBL1224167 |
| S-benzyl phenylmethanethiosulfinate |
| petivericin |
| Benzenemethanesulfinothioic acid, S-(phenylmethyl) ester |
| SCHEMBL10391146 |
| DTXSID90437280 |
| BDBM50325648 |
| MFCD00443820 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 92.37% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.25% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.37% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.07% | 95.56% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.17% | 93.81% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.20% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.03% | 90.17% |
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.
To see more specific details click the taxa you are interested in.
| Eurycoma longifolia |
| Petiveria alliacea |
| PubChem | 10244468 |
| LOTUS | LTS0202212 |
| wikiData | Q104908887 |