9-methoxy-6H-[1]benzofuro[3,2-c]chromene-3,4,7-triol

Details

Top
Internal ID e95c7b94-481e-4dd3-80a0-1ce9ae1d8dbd
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans
IUPAC Name 9-methoxy-6H-[1]benzofuro[3,2-c]chromene-3,4,7-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H12O6/c1-20-7-4-11(18)13-9-6-21-16-8(2-3-10(17)14(16)19)15(9)22-12(13)5-7/h2-5,17-19H,6H2,1H3
InChI Key DFYNCWHKXQJWGT-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H12O6
Molecular Weight 300.26 g/mol
Exact Mass 300.06338810 g/mol
Topological Polar Surface Area (TPSA) 92.30 Ų
XlogP 2.40

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 9-methoxy-6H-[1]benzofuro[3,2-c]chromene-3,4,7-triol

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 99.50% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.79% 91.49%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.92% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.73% 94.00%
CHEMBL242 Q92731 Estrogen receptor beta 92.68% 98.35%
CHEMBL4208 P20618 Proteasome component C5 91.96% 90.00%
CHEMBL3194 P02766 Transthyretin 90.68% 90.71%
CHEMBL2581 P07339 Cathepsin D 89.74% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.03% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.73% 89.00%
CHEMBL3438 Q05513 Protein kinase C zeta 85.73% 88.48%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.69% 86.33%
CHEMBL2535 P11166 Glucose transporter 85.62% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.18% 96.09%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.08% 90.24%
CHEMBL1907 P15144 Aminopeptidase N 83.75% 93.31%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.49% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.92% 94.45%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 81.81% 95.55%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.45% 97.09%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.21% 93.65%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.87% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 80.28% 94.73%

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.
There are no matching plants.

Cross-Links

Top
PubChem 50908263
LOTUS LTS0211434
wikiData Q104978452