1-(2-Hydroxyethyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol

Details

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Internal ID 00689d0b-429d-4d29-9c69-2ca739de88bc
Taxonomy Organoheterocyclic compounds > Pyrrolidines > N-alkylpyrrolidines
IUPAC Name 1-(2-hydroxyethyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
SMILES (Canonical) C1C(C(C(N1CCO)CO)O)O
SMILES (Isomeric) C1C(C(C(N1CCO)CO)O)O
InChI InChI=1S/C7H15NO4/c9-2-1-8-3-6(11)7(12)5(8)4-10/h5-7,9-12H,1-4H2
InChI Key SPYQWYTVWZBEHS-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C7H15NO4
Molecular Weight 177.20 g/mol
Exact Mass 177.10010796 g/mol
Topological Polar Surface Area (TPSA) 84.20 Ų
XlogP -1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(2-Hydroxyethyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 97.09% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.58% 97.25%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 87.53% 96.03%
CHEMBL2581 P07339 Cathepsin D 84.79% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.40% 97.09%
CHEMBL226 P30542 Adenosine A1 receptor 84.32% 95.93%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Angylocalyx pynaertii

Cross-Links

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PubChem 10352229
LOTUS LTS0052503
wikiData Q105257688