Penidienone

Details

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Internal ID fb217e4f-3280-4b31-b8be-2bff57c6ad5a
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Quinomethanes > O-quinomethanes
IUPAC Name (5S)-5-[(1E,3E)-hepta-1,3-dienyl]-6-methylidenecyclohex-2-en-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H18O/c1-3-4-5-6-7-9-13-10-8-11-14(15)12(13)2/h5-9,11,13H,2-4,10H2,1H3/b6-5+,9-7+/t13-/m1/s1
InChI Key JNFGTEZBSNFLIN-XHOKYKBNSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H18O
Molecular Weight 202.29 g/mol
Exact Mass 202.135765193 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Penidienone

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.36% 97.25%
CHEMBL2581 P07339 Cathepsin D 91.63% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.60% 95.56%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.59% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.85% 96.09%

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 163043733
LOTUS LTS0085653
wikiData Q105131879