(+)-Pseudohygroline

Details

• Internal ID: 64ebb93e-7f64-4f05-be1b-693365da0a66
• Taxonomy: Organoheterocyclic compounds > Pyrrolidines > N-alkylpyrrolidines
• IUPAC Name: (2S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ol
• SMILES (Canonical): CC(CC1CCCN1C)O
• SMILES (Isomeric): C[C@@H](C[C@H]1CCCN1C)O
• InChI: InChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
• InChI Key: CWMYODFAUAJKIV-JGVFFNPUSA-N
• Popularity: 2 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): 23.50 Ų
• XlogP: 0.90

Synonyms

• Pseudohygroline
• (S)-1-((R)-1-Methylpyrrolidin-2-yl)propan-2-ol
• (+)-Pseudohygroline
• psi-Hygroline
• Pseudohygroline, (+)-
• (2R,2'S)-Hygroline
• 5Z7YKD5J3X
• (alphaS,2R)-alpha,1-Dimethyl-2-pyrrolidineethanol
• 2-Pyrrolidineethanol, alpha,1-dimethyl-, (alphaS,2R)-
• 2-Pyrrolidineethanol, alpha,1-dimethyl-, [S-(R*,S*)]-

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	96.93%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.62%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.53%	85.14%
CHEMBL2581	P07339	Cathepsin D	93.58%	98.95%
CHEMBL5203	P33316	dUTP pyrophosphatase	93.33%	99.18%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	92.37%	95.58%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	87.41%	98.46%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.28%	95.89%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	85.00%	98.33%
CHEMBL4835	P00338	L-lactate dehydrogenase A chain	84.31%	95.34%
CHEMBL2730	P21980	Protein-glutamine gamma-glutamyltransferase	83.77%	92.38%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	83.62%	96.38%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	83.46%	96.47%
CHEMBL3837	P07711	Cathepsin L	81.29%	96.61%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	81.15%	95.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.39%	93.56%

Plants that contains it

• Schizanthus grahamii
• Schizanthus hookeri

Cross-Links

• PubChem: 11029949
• LOTUS: LTS0073174
• wikiData: Q104971396