3-Cyclohexen-1-ol, 1-cyclopropyl-4-methyl-, (S)-

Details

• Internal ID: 8c18e530-ee82-488d-b0ce-1b598c5d9263
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
• IUPAC Name: (1S)-1-cyclopropyl-4-methylcyclohex-3-en-1-ol
• SMILES (Canonical): CC1=CCC(CC1)(C2CC2)O
• SMILES (Isomeric): CC1=CC[C@@](CC1)(C2CC2)O
• InChI: InChI=1S/C10H16O/c1-8-4-6-10(11,7-5-8)9-2-3-9/h4,9,11H,2-3,5-7H2,1H3/t10-/m1/s1
• InChI Key: FTEUSHRMTWTVTP-SNVBAGLBSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.23 g/mol
• Exact Mass: 152.120115130 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 1.60

Synonyms

• 3-Cyclohexen-1-ol, 1-cyclopropyl-4-methyl-, (S)-
• 83133-20-4

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.55%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.00%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	86.79%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.19%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.93%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.30%	97.25%
CHEMBL4208	P20618	Proteasome component C5	82.61%	90.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.15%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.81%	95.56%

Plants that contains it

• Pistacia vera

Cross-Links

• PubChem: 21631143
• LOTUS: LTS0164420
• wikiData: Q105001015