Perezone

Details

• Internal ID: 7e05281f-350c-4510-b62a-1de86ce763c2
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 3-hydroxy-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
• SMILES (Canonical): CC1=CC(=O)C(=C(C1=O)O)C(C)CCC=C(C)C
• SMILES (Isomeric): CC1=CC(=O)C(=C(C1=O)O)[C@H](C)CCC=C(C)C
• InChI: InChI=1S/C15H20O3/c1-9(2)6-5-7-10(3)13-12(16)8-11(4)14(17)15(13)18/h6,8,10,18H,5,7H2,1-4H3/t10-/m1/s1
• InChI Key: JZXORCGMYQZBBQ-SNVBAGLBSA-N
• Popularity: 23 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.14124450 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 3.40

Synonyms

• 3600-95-1
• L7YL69207Z
• 2,5-Cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-, (R)-
• UNII-L7YL69207Z
• PEREZONE [MI]
• 2,5-Cyclohexadiene-1,4-dione,2-[(1R)-1,5-dimethyl-4-hexen-1-yl]-3-hydroxy-5-methyl-
• SCHEMBL3609795
• CHEMBL2071234
• DTXSID50877865
• JZXORCGMYQZBBQ-SNVBAGLBSA-N
• Q27282818
• 2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone #
• p-Benzoquinone, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-
• 2,5-Cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-, (-)-
• 2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-P-BENZOQUINONE, PIPITZAHOIC ACID
• 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-((1R)-1,5-DIMETHYL-4-HEXEN-1-YL)-3-HYDROXY-5-METHYL-
• 2-((1R)-1,5-DIMETHYL-4-HEXEN-1-YL)-3-HYDROXY-5-METHYL-2,5-CYCLOHEXADIENE-1,4-DIONE

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	96.92%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	94.77%	94.75%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.39%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	91.72%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.87%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.85%	90.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.60%	91.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.85%	93.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.52%	89.00%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	82.77%	96.90%
CHEMBL5103	Q969S8	Histone deacetylase 10	80.07%	90.08%

Plants that contains it

• Acourtia carpholepis
• Acourtia cuernavacana
• Acourtia nana
• Acourtia thurberi
• Coreocarpus arizonicus
• Coreopsis senaria
• Electranthera mutica
• Jungia axillaris

Cross-Links

• PubChem: 92964
• LOTUS: LTS0210475
• wikiData: Q27282818