2-(2-Hydroxyethyl)-4-(2-methyl-5-prop-1-en-2-ylcyclopentyl)but-2-enal

Details

• Internal ID: 6028e4d9-b8f9-4f6c-b87d-3bb656a49f7f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 2-(2-hydroxyethyl)-4-(2-methyl-5-prop-1-en-2-ylcyclopentyl)but-2-enal
• SMILES (Canonical): CC1CCC(C1CC=C(CCO)C=O)C(=C)C
• SMILES (Isomeric): CC1CCC(C1CC=C(CCO)C=O)C(=C)C
• InChI: InChI=1S/C15H24O2/c1-11(2)14-6-4-12(3)15(14)7-5-13(10-17)8-9-16/h5,10,12,14-16H,1,4,6-9H2,2-3H3
• InChI Key: LCZZFSWOCAYWFY-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.35 g/mol
• Exact Mass: 236.177630004 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 3.50

Synonyms

There are no found synonyms.

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	92.49%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.81%	97.25%
CHEMBL218	P21554	Cannabinoid CB1 receptor	86.48%	96.61%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.94%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.80%	91.11%
CHEMBL2581	P07339	Cathepsin D	83.55%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	82.43%	91.49%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.15%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.60%	100.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.35%	99.17%
CHEMBL340	P08684	Cytochrome P450 3A4	80.22%	91.19%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 85288267
• LOTUS: LTS0083883
• wikiData: Q105150112