(Z)-6-Octen-2-one

Details

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Internal ID 3440660d-62c0-4f8c-86c9-fd141b590545
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones
IUPAC Name (Z)-oct-6-en-2-one
SMILES (Canonical) CC=CCCCC(=O)C
SMILES (Isomeric) C/C=C\CCCC(=O)C
InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h3-4H,5-7H2,1-2H3/b4-3-
InChI Key FPXPWFLCGOFSTQ-ARJAWSKDSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C8H14O
Molecular Weight 126.20 g/mol
Exact Mass 126.104465066 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 1.60

Synonyms

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6-Octen-2-one, (Z)-
(6Z)-6-Octen-2-one #
SCHEMBL14938454
FPXPWFLCGOFSTQ-ARJAWSKDSA-N
AKOS006324120

2D Structure

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2D Structure of (Z)-6-Octen-2-one

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 92.59% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.24% 99.17%
CHEMBL2581 P07339 Cathepsin D 84.66% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.74% 91.11%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.94% 94.33%

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.
Scorzonera laciniata

Cross-Links

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PubChem 5363401
LOTUS LTS0185538
wikiData Q104999454