(R)-Apiumetin

Details

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Internal ID 8d34668e-2e5d-46be-bceb-e8821297586a
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens
IUPAC Name 9-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILES (Canonical) CC(=C)C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O
SMILES (Isomeric) CC(=C)C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O
InChI InChI=1S/C14H12O4/c1-7(2)10-6-9-5-8-3-4-11(15)18-13(8)12(16)14(9)17-10/h3-5,10,16H,1,6H2,2H3
InChI Key VIUKEEZPYOJNOJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H12O4
Molecular Weight 244.24 g/mol
Exact Mass 244.07355886 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 2.90

Synonyms

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CHEBI:174260
9-hydroxy-2-prop-1-en-2-yl-2,3-dihydrouro[3,2-g]chromen-7-one

2D Structure

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2D Structure of (R)-Apiumetin

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
CHEMBL1951 P21397 Monoamine oxidase A 99.07% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.35% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.82% 98.95%
CHEMBL217 P14416 Dopamine D2 receptor 91.15% 95.62%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.18% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.31% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.09% 95.56%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 87.21% 85.11%
CHEMBL3401 O75469 Pregnane X receptor 84.83% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.70% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.24% 90.71%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 81.81% 96.39%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Ammi majus

Cross-Links

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PubChem 131752966
LOTUS LTS0173755
wikiData Q104402660