Hept-4-en-2-ol

Details

• Internal ID: 6d2ac7b0-287b-4973-9229-47473f270bcd
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: hept-4-en-2-ol
• SMILES (Canonical): CCC=CCC(C)O
• SMILES (Isomeric): CCC=CCC(C)O
• InChI: InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3
• InChI Key: KZUFTCBJDQXWOJ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₄O
• Molecular Weight: 114.19 g/mol
• Exact Mass: 114.104465066 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 1.70

Synonyms

• 66642-85-1
• DTXSID40985226

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.47%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.37%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	86.16%	97.29%
CHEMBL2885	P07451	Carbonic anhydrase III	83.46%	87.45%
CHEMBL218	P21554	Cannabinoid CB1 receptor	83.28%	96.61%

Plants that contains it

• Zea mays

Cross-Links

• PubChem: 100886
• LOTUS: LTS0085604
• wikiData: Q82972709