Campyrone C

Details

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Internal ID 573861aa-d3d2-476d-b8bd-c5eb9c168810
Taxonomy Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
IUPAC Name N-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H17NO4/c1-7(2)12(13-8(3)14)10-5-9(16-4)6-11(15)17-10/h5-7,12H,1-4H3,(H,13,14)/t12-/m0/s1
InChI Key WCMUUYZSUQJWRX-LBPRGKRZSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C12H17NO4
Molecular Weight 239.27 g/mol
Exact Mass 239.11575802 g/mol
Topological Polar Surface Area (TPSA) 64.60 Ų
XlogP 1.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Campyrone C

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.18% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.38% 85.14%
CHEMBL2581 P07339 Cathepsin D 95.50% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.46% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.38% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.24% 96.09%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 88.17% 91.07%
CHEMBL4208 P20618 Proteasome component C5 88.05% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 87.57% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.90% 96.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.10% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.81% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.65% 90.71%
CHEMBL4040 P28482 MAP kinase ERK2 82.57% 83.82%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 81.05% 80.00%
CHEMBL2535 P11166 Glucose transporter 80.19% 98.75%

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 52325696
LOTUS LTS0160699
wikiData Q77373421