1-Acetyl-4-isopropenylcyclopentene

Details

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Internal ID bd682892-06f0-4d26-a3d4-6df5a2f158e2
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
IUPAC Name 1-(4-prop-1-en-2-ylcyclopenten-1-yl)ethanone
SMILES (Canonical) CC(=C)C1CC=C(C1)C(=O)C
SMILES (Isomeric) CC(=C)C1CC=C(C1)C(=O)C
InChI InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3
InChI Key BTXSVMBTNJSALB-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O
Molecular Weight 150.22 g/mol
Exact Mass 150.104465066 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 2.30

Synonyms

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1-acetyl-4-isopropenyl-cyclopentene
1-(4-(prop-1-en-2-yl)cyclopent-1-enyl)ethanone
SCHEMBL6359659
BTXSVMBTNJSALB-UHFFFAOYSA-N
CHEBI:195901
l-acetyl-4-isopropenylcyclopentene
DTXSID301228262
1-Acetyl-4-isopropenyl-1-cyclopentene
LMPR0102080001
4-Isopropenyl-1-cyclopenten-1-yl methyl ketone
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-Acetyl-4-isopropenylcyclopentene

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
CHEMBL4040 P28482 MAP kinase ERK2 99.03% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.33% 96.09%
CHEMBL2581 P07339 Cathepsin D 89.95% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.71% 91.11%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 88.71% 97.21%
CHEMBL340 P08684 Cytochrome P450 3A4 83.90% 91.19%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.85% 96.95%

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.
Eucalyptus globulus

Cross-Links

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PubChem 12634575
LOTUS LTS0074610
wikiData Q104945949