(+)-Conhydrine

Details

• Internal ID: 4cce6231-a6d6-4348-b455-da33b8f7c1cc
• Taxonomy: Organoheterocyclic compounds > Piperidines
• IUPAC Name: (1R)-1-[(2S)-piperidin-2-yl]propan-1-ol
• SMILES (Canonical): CCC(C1CCCCN1)O
• SMILES (Isomeric): CC[C@H]([C@@H]1CCCCN1)O
• InChI: InChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3/t7-,8+/m0/s1
• InChI Key: VCCAAURNBULZRR-JGVFFNPUSA-N
• Popularity: 89 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₇NO
• Molecular Weight: 143.23 g/mol
• Exact Mass: 143.131014166 g/mol
• Topological Polar Surface Area (TPSA): 32.30 Ų
• XlogP: 1.00

Synonyms

• CONHYDRINE
• alpha-Conhydrine
• 495-20-5
• Q21EOC14Q2
• Conhydrin
• UNII-Q21EOC14Q2
• (R-(R*,S*))-alpha-Ethyl-2-piperidinemethanol
• EINECS 207-798-1
• BRN 0080052
• CONHYDRINE [MI]
• CONHYDRINE, (+)-
• 2-Piperidinemethanol, alpha-ethyl-, (R-(R*,S*))-
• SCHEMBL3478050
• (+)-.ALPHA.-CONHYDRINE
• DTXSID10879264
• AKOS040750346
• (1R)-1-[(2S)-Piperidin-2-yl]propan-1-ol
• Q409921
• (.ALPHA.R,2S)-.ALPHA.-ETHYL-2-PIPERIDINEMETHANOL
• 2-PIPERIDINEMETHANOL, .ALPHA.-ETHYL-, (.ALPHA.R,2S)-

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.62%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.60%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.90%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.16%	98.95%
CHEMBL238	Q01959	Dopamine transporter	90.31%	95.88%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	89.11%	92.88%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.36%	85.14%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	87.33%	95.58%
CHEMBL237	P41145	Kappa opioid receptor	86.99%	98.10%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.14%	94.45%
CHEMBL213	P08588	Beta-1 adrenergic receptor	81.71%	95.56%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	80.39%	93.04%

Plants that contains it

• Aloe descoingsii
• Conium maculatum

Cross-Links

• PubChem: 11744748
• LOTUS: LTS0070906
• wikiData: Q409921