Pent-2-en-2-ol

Details

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Internal ID feae9e79-c6c9-4bea-a653-ca1becacc93c
Taxonomy Organic oxygen compounds > Organooxygen compounds > Enols
IUPAC Name pent-2-en-2-ol
SMILES (Canonical) CCC=C(C)O
SMILES (Isomeric) CCC=C(C)O
InChI InChI=1S/C5H10O/c1-3-4-5(2)6/h4,6H,3H2,1-2H3
InChI Key VBPSVYDSYVJIPX-UHFFFAOYSA-N
Popularity 90 references in papers

Physical and Chemical Properties

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Molecular Formula C5H10O
Molecular Weight 86.13 g/mol
Exact Mass 86.073164938 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 1.50

Synonyms

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61923-54-4
DTXSID50610138

2D Structure

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2D Structure of Pent-2-en-2-ol

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 84.95% 96.09%
CHEMBL2581 P07339 Cathepsin D 82.09% 98.95%

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.
Medicago sativa

Cross-Links

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PubChem 20981110
LOTUS LTS0120254
wikiData Q82509607