Histaminol

Details

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Internal ID 4693c59c-f901-4bd6-ad1c-da65b1b7e17f
Taxonomy Organoheterocyclic compounds > Azoles > Imidazoles
IUPAC Name 2-(1H-imidazol-5-yl)ethanol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7)
InChI Key HEEACTTWORLLPM-UHFFFAOYSA-N
Popularity 24 references in papers

Physical and Chemical Properties

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Molecular Formula C5H8N2O
Molecular Weight 112.13 g/mol
Exact Mass 112.063662883 g/mol
Topological Polar Surface Area (TPSA) 48.90 Ų
XlogP -0.40

Synonyms

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2-(1H-imidazol-5-yl)ethanol
Imidazolyl-4-ethanol
2-(1H-imidazol-4-yl)ethanol
1H-Imidazole-4-ethanol
2-(1H-IMIDAZOL-4-YL)ETHAN-1-OL
2-(3H-imidazol-4-yl)-ethanol
MFCD00195671
1H-Imidazole-5-ethanol
IMET
2-[1(3)H-Imidazol]-4-yl-ethanol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Histaminol

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 92.35% 96.09%
CHEMBL3038469 P24941 CDK2/Cyclin A 86.08% 91.38%
CHEMBL4296013 Q5VWK5 Interleukin-23 receptor 82.57% 88.00%
CHEMBL255 P29275 Adenosine A2b receptor 81.75% 98.59%
CHEMBL2885 P07451 Carbonic anhydrase III 81.40% 87.45%

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.
There are no matching plants.

Cross-Links

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PubChem 3083655
LOTUS LTS0072676
wikiData Q72482384