Styrene

Details

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Internal ID 59c4eabc-e8c6-48db-8380-c0265268b24f
Taxonomy Benzenoids > Benzene and substituted derivatives > Styrenes
IUPAC Name styrene
SMILES (Canonical) C=CC1=CC=CC=C1
SMILES (Isomeric) C=CC1=CC=CC=C1
InChI InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChI Key PPBRXRYQALVLMV-UHFFFAOYSA-N
Popularity 36,962 references in papers

Physical and Chemical Properties

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Molecular Formula C8H8
Molecular Weight 104.15 g/mol
Exact Mass 104.062600255 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 2.90

Synonyms

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Ethenylbenzene
Vinylbenzene
Phenylethylene
100-42-5
Styrol
Benzene, ethenyl-
Cinnamene
Phenylethene
Styrolene
Phenethylene
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Styrene

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
CHEMBL3577 P00352 Aldehyde dehydrogenase 1A1 39810.7 nM
Potency
via CMAUP
CHEMBL1963 P16473 Thyroid stimulating hormone receptor 1995.3 nM
1995.3 nM
Potency
Potency
via CMAUP
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 93.85% 94.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.08% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.37% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.44% 86.33%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 85.35% 94.08%
CHEMBL3902 P09211 Glutathione S-transferase Pi 83.56% 93.81%
CHEMBL3761 Q9HCG7 Beta-glucosidase 80.21% 99.00%

Cross-Links

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PubChem 7501
NPASS NPC149436
ChEMBL CHEMBL285235
LOTUS LTS0014014
wikiData Q28917