m-Xylene
| Internal ID | a75d095e-6856-4170-ad07-b86dad3f071d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Xylenes > m-Xylenes |
| IUPAC Name | 1,3-xylene |
| SMILES (Canonical) | CC1=CC(=CC=C1)C |
| SMILES (Isomeric) | CC1=CC(=CC=C1)C |
| InChI | InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 |
| InChI Key | IVSZLXZYQVIEFR-UHFFFAOYSA-N |
| Popularity | 5,404 references in papers |
| Molecular Formula | C8H10 |
| Molecular Weight | 106.16 g/mol |
| Exact Mass | 106.078250319 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 3.20 |
| 1,3-Dimethylbenzene |
| 108-38-3 |
| 1,3-Xylene |
| meta-Xylene |
| m-Xylol |
| m-Dimethylbenzene |
| m-Methyltoluene |
| Benzene, 1,3-dimethyl- |
| 3-Xylene |
| 1,3-Dimethylbenzol |
| 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 |
|---|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase |
4900 nM 1.995 nM |
IC50 IC50 |
PMID: 1738151
PMID: 1738151 |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.39% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.21% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.03% | 94.73% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 88.95% | 96.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.45% | 86.33% |
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.
| PubChem | 7929 |
| NPASS | NPC147062 |
| ChEMBL | CHEMBL286727 |
| LOTUS | LTS0151729 |
| wikiData | Q3234708 |