(3z)-Hexenol

Details

• Internal ID: 187a9668-b7ba-43c1-ab20-6d064cc2c651
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Enols
• IUPAC Name: (Z)-hex-1-en-1-ol
• SMILES (Canonical): CCCCC=CO
• SMILES (Isomeric): CCCC/C=C\O
• InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5-
• InChI Key: JHEPBQHNVNUAFL-WAYWQWQTSA-N
• Popularity: 33 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂O
• Molecular Weight: 100.16 g/mol
• Exact Mass: 100.088815002 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 2.20

Synonyms

• SCHEMBL16290083

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	91.42%	98.95%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	90.21%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.97%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.94%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	84.96%	92.08%
CHEMBL242	Q92731	Estrogen receptor beta	83.90%	98.35%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	83.47%	92.86%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.75%	97.21%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	81.99%	97.29%
CHEMBL2885	P07451	Carbonic anhydrase III	81.44%	87.45%
CHEMBL1907	P15144	Aminopeptidase N	81.30%	93.31%

Plants that contains it

• Artemisia capillaris

Cross-Links

• PubChem: 10057450
• LOTUS: LTS0235547
• wikiData: Q105127926