(3R)-5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-one

Details

Top
Internal ID 4e4c5ccb-fb69-41d1-ae8d-4c40289694b9
Taxonomy Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones
IUPAC Name (3R)-5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-one
SMILES (Canonical) CC1=C(C2=C(C(=C1O)OC)OCC(C2=O)CC3=C(C=C(C=C3)OC)O)O
SMILES (Isomeric) CC1=C(C2=C(C(=C1O)OC)OC[C@H](C2=O)CC3=C(C=C(C=C3)OC)O)O
InChI InChI=1S/C19H20O7/c1-9-15(21)14-17(23)11(8-26-18(14)19(25-3)16(9)22)6-10-4-5-12(24-2)7-13(10)20/h4-5,7,11,20-22H,6,8H2,1-3H3/t11-/m1/s1
InChI Key FMFZMWWKEGLLRS-LLVKDONJSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H20O7
Molecular Weight 360.40 g/mol
Exact Mass 360.12090297 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 3.20

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of (3R)-5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-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 99.20% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 96.53% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.44% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.07% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.15% 97.09%
CHEMBL2581 P07339 Cathepsin D 92.07% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.99% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 91.17% 92.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.67% 99.17%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 88.97% 94.80%
CHEMBL4581 P52732 Kinesin-like protein 1 87.60% 93.18%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.25% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.84% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 86.06% 91.07%
CHEMBL3401 O75469 Pregnane X receptor 85.91% 94.73%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.43% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.07% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.97% 93.99%
CHEMBL2535 P11166 Glucose transporter 84.17% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.15% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.92% 94.45%
CHEMBL1929 P47989 Xanthine dehydrogenase 81.56% 96.12%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.02% 90.71%
CHEMBL3922 P50579 Methionine aminopeptidase 2 80.01% 97.28%

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.
Ophiopogon japonicus
Polygonatum odoratum

Cross-Links

Top
PubChem 637306
LOTUS LTS0031546
wikiData Q104997824