(7R)-4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one

Details

Top
Internal ID 2e9902ea-cd98-44b8-948b-9acabe8a21c8
Taxonomy Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans
IUPAC Name (7R)-4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one
SMILES (Canonical) CC1CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC
SMILES (Isomeric) C[C@@H]1CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC
InChI InChI=1S/C13H12O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-4,6-7H,5H2,1-2H3/t7-/m1/s1
InChI Key LJCCQQNTPLPSNX-SSDOTTSWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C13H12O4
Molecular Weight 232.23 g/mol
Exact Mass 232.07355886 g/mol
Topological Polar Surface Area (TPSA) 48.70 Ų
XlogP 2.60

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of (7R)-4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-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
CHEMBL1951 P21397 Monoamine oxidase A 99.04% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.46% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.65% 95.56%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 93.98% 94.03%
CHEMBL2581 P07339 Cathepsin D 92.06% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.47% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.36% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.71% 85.14%
CHEMBL2535 P11166 Glucose transporter 85.22% 98.75%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 84.81% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.67% 94.00%
CHEMBL2056 P21728 Dopamine D1 receptor 84.26% 91.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.26% 99.23%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 81.16% 97.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.83% 99.17%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.06% 97.14%

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.
Coriandrum sativum

Cross-Links

Top
PubChem 162868569
LOTUS LTS0137062
wikiData Q105152479