6-Methoxysakuranetin

Details

Top
Internal ID 787f7049-5b9a-4005-8969-fa7208fe8224
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name (2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O)OC
SMILES (Isomeric) COC1=C(C(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O)O)OC
InChI InChI=1S/C17H16O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3/t12-/m0/s1
InChI Key DEOJMRBCCZJDEC-LBPRGKRZSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C17H16O6
Molecular Weight 316.30 g/mol
Exact Mass 316.09468823 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 2.70

Synonyms

Top
CHEMBL210692
GTPL9111
BDBM50384790
compound 33 [PMID: 21650152]
PD051474
Q27074015
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one

2D Structure

Top
2D Structure of 6-Methoxysakuranetin

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 98.29% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.27% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.22% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.43% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.13% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.12% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.69% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.19% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.50% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.61% 99.17%
CHEMBL2581 P07339 Cathepsin D 86.57% 98.95%
CHEMBL2535 P11166 Glucose transporter 85.53% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.80% 99.23%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.17% 95.89%
CHEMBL4208 P20618 Proteasome component C5 82.81% 90.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.21% 99.15%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.71% 90.71%

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.
Breynia vitis-idaea
Plectranthus ecklonii

Cross-Links

Top
PubChem 44412004
LOTUS LTS0243921
wikiData Q27074015