Vidalenolone

Details

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Internal ID 93f9944b-f4ce-4230-ad1b-c727496aa145
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name (5R)-2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxycyclopent-2-en-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H14O4/c1-17-13(7-6-11(15)12(13)16)8-9-2-4-10(14)5-3-9/h2-6,14-15H,7-8H2,1H3/t13-/m1/s1
InChI Key UJDWQMHSONZRPQ-CYBMUJFWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H14O4
Molecular Weight 234.25 g/mol
Exact Mass 234.08920892 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 1.80

Synonyms

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DTXSID601030296
(5R)-2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxycyclopent-2-en-1-one
Q7927682

2D Structure

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2D Structure of Vidalenolone

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
CHEMBL2581 P07339 Cathepsin D 97.17% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.13% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.46% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.06% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.78% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.88% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.44% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.22% 95.89%
CHEMBL4208 P20618 Proteasome component C5 83.53% 90.00%
CHEMBL2535 P11166 Glucose transporter 81.70% 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 636986
LOTUS LTS0054874
wikiData Q7927682