2,5-Dideoxy-2,5-Imino-D-Fucitol

Details

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Internal ID ff0ad6f2-06ef-4992-918f-ec3390bec9a1
Taxonomy Organoheterocyclic compounds > Pyrrolidines
IUPAC Name (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
SMILES (Canonical) CC1C(C(C(N1)CO)O)O
SMILES (Isomeric) C[C@@H]1[C@@H]([C@@H]([C@@H](N1)CO)O)O
InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m1/s1
InChI Key YRBKDBZXOAEMOT-DPYQTVNSSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C6H13NO3
Molecular Weight 147.17 g/mol
Exact Mass 147.08954328 g/mol
Topological Polar Surface Area (TPSA) 72.70 Ų
XlogP -1.30

Synonyms

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2,5-dideoxy-2,5-imino-D-fucitol
SCHEMBL3443029
BDBM50242269
AKOS006378125

2D Structure

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2D Structure of 2,5-Dideoxy-2,5-Imino-D-Fucitol

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 94.07% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.53% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.75% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 84.25% 97.79%
CHEMBL1907589 P17787 Neuronal acetylcholine receptor; alpha4/beta2 82.65% 94.55%
CHEMBL2581 P07339 Cathepsin D 82.34% 98.95%
CHEMBL226 P30542 Adenosine A1 receptor 80.49% 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 21129912
NPASS NPC474014
ChEMBL CHEMBL458368
LOTUS LTS0247895
wikiData Q105352706