1-Hydroxyindolizidine

Details

• Internal ID: 240fef71-3051-48dc-92be-3fe019352878
• Taxonomy: Organoheterocyclic compounds > Indolizidines
• IUPAC Name: 1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
• SMILES (Canonical): C1CCN2CCC(C2C1)O
• SMILES (Isomeric): C1CCN2CCC(C2C1)O
• InChI: InChI=1S/C8H15NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7-8,10H,1-6H2
• InChI Key: IATZHJGSCGLJSL-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₅NO
• Molecular Weight: 141.21 g/mol
• Exact Mass: 141.115364102 g/mol
• Topological Polar Surface Area (TPSA): 23.50 Ų
• XlogP: 0.70

Synonyms

• SCHEMBL5452687
• AKOS019067509
• 1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol

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
CHEMBL3023	Q9NRA0	Sphingosine kinase 2	89.33%	95.61%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.27%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.73%	97.25%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	85.92%	96.03%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	85.35%	93.04%
CHEMBL2581	P07339	Cathepsin D	84.67%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.57%	95.89%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.14%	93.03%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.99%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.65%	97.09%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.34%	95.50%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.83%	93.40%

Plants that contains it

• Astragalus oxyphysus

Cross-Links

• PubChem: 13818696
• LOTUS: LTS0080854
• wikiData: Q105036290