Hexadec-10-en-2-one

Details

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Internal ID 3f0215da-f36c-4eaf-b5f8-ab0f3034600c
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones
IUPAC Name (Z)-hexadec-10-en-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h7-8H,3-6,9-15H2,1-2H3/b8-7-
InChI Key LUAPUTBPWOADRW-FPLPWBNLSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H30O
Molecular Weight 238.41 g/mol
Exact Mass 238.229665576 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 6.00

Synonyms

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(Z)-hexadec-10-en-2-one
RefChem:145930
CHEBI:189176

2D Structure

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2D Structure of Hexadec-10-en-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
CHEMBL3060 Q9Y345 Glycine transporter 2 97.53% 99.17%
CHEMBL2581 P07339 Cathepsin D 94.35% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 93.93% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 92.98% 89.63%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.67% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.61% 97.29%
CHEMBL1781 P11387 DNA topoisomerase I 85.92% 97.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.91% 96.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.52% 85.94%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.05% 91.11%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 83.71% 92.86%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.99% 100.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.71% 89.34%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.91% 94.33%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.46% 97.21%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 80.44% 91.81%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139584163
LOTUS LTS0224800
wikiData Q77280376