(4R)-4-propan-2-ylcyclohexa-1,5-diene-1-carbaldehyde

Details

• Internal ID: 22fd2d2b-9485-414a-9efb-7b9814cdf375
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (4R)-4-propan-2-ylcyclohexa-1,5-diene-1-carbaldehyde
• SMILES (Canonical): CC(C)C1CC=C(C=C1)C=O
• SMILES (Isomeric): CC(C)[C@H]1CC=C(C=C1)C=O
• InChI: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-5,7-8,10H,6H2,1-2H3/t10-/m1/s1
• InChI Key: IHMUIEIWVVHVHY-SNVBAGLBSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.22 g/mol
• Exact Mass: 150.104465066 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 2.50

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.26%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.08%	97.25%
CHEMBL2581	P07339	Cathepsin D	86.52%	98.95%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	84.59%	98.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.78%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.98%	90.71%
CHEMBL4208	P20618	Proteasome component C5	81.93%	90.00%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.79%	90.24%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.52%	93.56%

Plants that contains it

• Eucalyptus globulus

Cross-Links

• PubChem: 93506100
• LOTUS: LTS0143512
• wikiData: Q105113140