Massariphenone

Details

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Internal ID 4a68e575-fd74-4b9a-97d2-230e69d5abde
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name 2-hydroxy-1-(5-hydroxy-2-methylphenyl)propan-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H12O3/c1-6-3-4-8(12)5-9(6)10(13)7(2)11/h3-5,7,11-12H,1-2H3
InChI Key LZKXQEWGRISBLV-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C10H12O3
Molecular Weight 180.20 g/mol
Exact Mass 180.078644241 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 1.40

Synonyms

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2-hydroxy-1-(5-hydroxy-2-methylphenyl)propan-1-one

2D Structure

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2D Structure of Massariphenone

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 95.46% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 89.42% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.02% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.11% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.49% 91.11%
CHEMBL2535 P11166 Glucose transporter 86.01% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.43% 99.15%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.67% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.14% 90.71%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.88% 93.56%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.67% 93.65%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 82.31% 90.93%
CHEMBL4208 P20618 Proteasome component C5 82.03% 90.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.95% 95.89%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 81.80% 97.23%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 80.75% 85.00%

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 16656565
LOTUS LTS0129634
wikiData Q75064632