4-Ethylstyrene

Details

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Internal ID 6d73b1e6-eb57-4911-b3f5-dc30b94998ab
Taxonomy Benzenoids > Benzene and substituted derivatives > Styrenes
IUPAC Name 1-ethenyl-4-ethylbenzene
SMILES (Canonical) CCC1=CC=C(C=C1)C=C
SMILES (Isomeric) CCC1=CC=C(C=C1)C=C
InChI InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3
InChI Key WHFHDVDXYKOSKI-UHFFFAOYSA-N
Popularity 27 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12
Molecular Weight 132.20 g/mol
Exact Mass 132.093900383 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 3.50

Synonyms

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1-Ethenyl-4-ethylbenzene
3454-07-7
1-Ethyl-4-vinylbenzene
p-Ethylstyrene
p-Ethylvinylbenzene
Styrene, p-ethyl-
Benzene, 1-ethenyl-4-ethyl-
para-ethylvinylbenzene
ZKX7MV36HU
ETHYLSTYRENE, P-
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-Ethylstyrene

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
CHEMBL2581 P07339 Cathepsin D 93.69% 98.95%
CHEMBL2039 P27338 Monoamine oxidase B 91.79% 92.51%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.30% 96.09%
CHEMBL3492 P49721 Proteasome Macropain subunit 87.21% 90.24%
CHEMBL240 Q12809 HERG 86.22% 89.76%
CHEMBL1951 P21397 Monoamine oxidase A 85.21% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.16% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 82.30% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.90% 94.45%

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.
Magnolia biondii
Magnolia denudata
Magnolia kobus
Magnolia salicifolia
Magnolia sprengeri

Cross-Links

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PubChem 18940
NPASS NPC116518
LOTUS LTS0099766
wikiData Q83059851