3-(3,4-dihydro-2H-furo[2,3-h]chromen-3-yl)-2,6-dimethoxyphenol

Details

Top
Internal ID 04e91d14-f8d6-474f-b4cd-3b6cff7cc4c0
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 3-hydroxy,4-methoxyisoflavonoids
IUPAC Name 3-(3,4-dihydro-2H-furo[2,3-h]chromen-3-yl)-2,6-dimethoxyphenol
SMILES (Canonical) COC1=C(C(=C(C=C1)C2CC3=C(C4=C(C=C3)OC=C4)OC2)OC)O
SMILES (Isomeric) COC1=C(C(=C(C=C1)C2CC3=C(C4=C(C=C3)OC=C4)OC2)OC)O
InChI InChI=1S/C19H18O5/c1-21-16-6-4-13(19(22-2)17(16)20)12-9-11-3-5-15-14(7-8-23-15)18(11)24-10-12/h3-8,12,20H,9-10H2,1-2H3
InChI Key DGWRIGGEKQHRTA-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H18O5
Molecular Weight 326.30 g/mol
Exact Mass 326.11542367 g/mol
Topological Polar Surface Area (TPSA) 61.10 Ų
XlogP 3.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 3-(3,4-dihydro-2H-furo[2,3-h]chromen-3-yl)-2,6-dimethoxyphenol

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 98.40% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.52% 91.11%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 95.41% 94.03%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 93.42% 89.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.91% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.63% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.79% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.49% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.87% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.50% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.62% 95.56%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.12% 93.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.11% 86.33%
CHEMBL2056 P21728 Dopamine D1 receptor 86.00% 91.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.81% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.18% 99.23%
CHEMBL2581 P07339 Cathepsin D 85.05% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.32% 97.09%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 82.91% 95.78%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 82.68% 82.67%
CHEMBL5747 Q92793 CREB-binding protein 82.21% 95.12%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.20% 92.94%

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.
Smirnowia turkestana

Cross-Links

Top
PubChem 21599439
LOTUS LTS0220856
wikiData Q104979418