(8R)-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one

Details

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Internal ID 2bb3505f-6c03-4474-96bf-91259914b79c
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Angular furanocoumarins
IUPAC Name (8R)-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
SMILES (Canonical) CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
SMILES (Isomeric) CC(=C)[C@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3
InChI InChI=1S/C14H12O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-6,12H,1,7H2,2H3/t12-/m1/s1
InChI Key WLRXMMDATRQQNQ-GFCCVEGCSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H12O3
Molecular Weight 228.24 g/mol
Exact Mass 228.078644241 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (8R)-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one

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 92.40% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.49% 99.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.15% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.54% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.19% 94.45%
CHEMBL1951 P21397 Monoamine oxidase A 84.33% 91.49%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.58% 100.00%

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
Prangos pabularia

Cross-Links

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PubChem 51520705
LOTUS LTS0099695
wikiData Q105308181