2-(7-Methoxy-1,3-benzodioxol-5-yl)furo[2,3-h]chromen-4-one

Details

Top
Internal ID cef10964-af9f-4a6a-b30e-f649a4a91023
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones > Furanoflavones
IUPAC Name 2-(7-methoxy-1,3-benzodioxol-5-yl)furo[2,3-h]chromen-4-one
SMILES (Canonical) COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(O3)C5=C(C=C4)OC=C5
SMILES (Isomeric) COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(O3)C5=C(C=C4)OC=C5
InChI InChI=1S/C19H12O6/c1-21-16-6-10(7-17-19(16)24-9-23-17)15-8-13(20)11-2-3-14-12(4-5-22-14)18(11)25-15/h2-8H,9H2,1H3
InChI Key OYCTVEVNYAUZKM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H12O6
Molecular Weight 336.30 g/mol
Exact Mass 336.06338810 g/mol
Topological Polar Surface Area (TPSA) 67.10 Ų
XlogP 3.40

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2-(7-Methoxy-1,3-benzodioxol-5-yl)furo[2,3-h]chromen-4-one

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.10% 91.11%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 97.50% 96.77%
CHEMBL2581 P07339 Cathepsin D 95.29% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.98% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.96% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.85% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.51% 89.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 92.14% 94.03%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 91.45% 85.30%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.80% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 86.70% 92.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.06% 96.00%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 85.30% 92.38%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.22% 89.62%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 84.36% 85.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.13% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.50% 93.99%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.33% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.10% 99.17%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 80.34% 96.00%

Plants that contains it

Top
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.
Pongamia pinnata

Cross-Links

Top
PubChem 15719488
LOTUS LTS0028832
wikiData Q104397699