4-(Acetyloxy)-alpha-ethenylbenzenemethanol

Details

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Internal ID d5d59ec3-547c-4d06-ac16-ffd382bf305b
Taxonomy Benzenoids > Phenol esters
IUPAC Name [4-(1-hydroxyprop-2-enyl)phenyl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H12O3/c1-3-11(13)9-4-6-10(7-5-9)14-8(2)12/h3-7,11,13H,1H2,2H3
InChI Key GKYVDAMMLMMJGZ-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C11H12O3
Molecular Weight 192.21 g/mol
Exact Mass 192.078644241 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 1.70

Synonyms

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RefChem:288429
4-(Acetyloxy)-alpha-ethenylbenzenemethanol
1'-Hydroxychavicol acetate
[4-(1-hydroxyprop-2-enyl)phenyl] acetate
Benzenemethanol, 4-(acetyloxy)-alpha-ethenyl-
4-(1-hydroxyallyl)phenyl acetate
4-(1-HYDROXYPROP-2-EN-1-YL)PHENYL ACETATE
1'-S-1'-Hydroxychavicol acetate
CHEBI:173929
DTXSID101284684
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-(Acetyloxy)-alpha-ethenylbenzenemethanol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.72% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.02% 96.09%
CHEMBL4208 P20618 Proteasome component C5 93.22% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.08% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.39% 95.56%
CHEMBL2581 P07339 Cathepsin D 89.37% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 85.36% 94.73%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 84.17% 94.80%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.14% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.37% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.28% 86.33%

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.
Alpinia galanga

Cross-Links

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PubChem 71596738
LOTUS LTS0075451
wikiData Q104397190