1,2-Dihydroxy-3-hydroxymethylpyrrolizidine

Details

• Internal ID: fb860e11-0268-4d22-a6c0-c69a7fe693b2
• Taxonomy: Organoheterocyclic compounds > Pyrrolizidines
• IUPAC Name: 3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
• InChI: InChI=1S/C8H15NO3/c10-4-6-8(12)7(11)5-2-1-3-9(5)6/h5-8,10-12H,1-4H2
• InChI Key: STFSMGASTIYWRS-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₅NO₃
• Molecular Weight: 173.21 g/mol
• Exact Mass: 173.10519334 g/mol
• Topological Polar Surface Area (TPSA): 63.90 Ų
• XlogP: -0.70

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.47%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.81%	97.09%
CHEMBL2581	P07339	Cathepsin D	89.40%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.23%	95.89%
CHEMBL3023	Q9NRA0	Sphingosine kinase 2	87.11%	95.61%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.05%	86.92%
CHEMBL226	P30542	Adenosine A1 receptor	85.60%	95.93%
CHEMBL5203	P33316	dUTP pyrophosphatase	85.49%	99.18%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	83.71%	96.03%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.11%	97.25%

Plants that contains it

• Muscari armeniacum

Cross-Links

• PubChem: 72760523
• LOTUS: LTS0210323
• wikiData: Q105260234