Methionol

Details

Top
Internal ID 4ccac6f0-2da3-45cd-a576-7a60c42c81a3
Taxonomy Organosulfur compounds > Thioethers > Dialkylthioethers
IUPAC Name 3-methylsulfanylpropan-1-ol
SMILES (Canonical) CSCCCO
SMILES (Isomeric) CSCCCO
InChI InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChI Key CZUGFKJYCPYHHV-UHFFFAOYSA-N
Popularity 249 references in papers

Physical and Chemical Properties

Top
Molecular Formula C4H10OS
Molecular Weight 106.19 g/mol
Exact Mass 106.04523611 g/mol
Topological Polar Surface Area (TPSA) 45.50 Ų
XlogP 0.50

Synonyms

Top
505-10-2
3-methylthiopropanol
3-(Methylthio)-1-propanol
3-(METHYLTHIO)PROPANOL
3-Hydroxypropyl methyl sulfide
3-(methylthio)propan-1-ol
1-Propanol, 3-(methylthio)-
3-Methylmercapto-1-propanol
3-methylsulfanylpropan-1-ol
3-(methylsulfanyl)propan-1-ol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Methionol

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 90.56% 96.09%
CHEMBL2885 P07451 Carbonic anhydrase III 89.72% 87.45%
CHEMBL2581 P07339 Cathepsin D 81.44% 98.95%
CHEMBL226 P30542 Adenosine A1 receptor 81.24% 95.93%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.03% 99.17%

Plants that contains it

Top
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.
Vitis vinifera

Cross-Links

Top
PubChem 10448
NPASS NPC261397
LOTUS LTS0133072
wikiData Q11343729