Dihydromyricetin 3-rhamnoside

Details

Top
Internal ID 15e210ea-5f11-4356-a7e7-d734f106d9e8
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
IUPAC Name 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
SMILES (Isomeric) CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
InChI InChI=1S/C21H22O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-27,29-30H,1H3
InChI Key QMGYCEQXKDMHDB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C21H22O12
Molecular Weight 466.40 g/mol
Exact Mass 466.11112613 g/mol
Topological Polar Surface Area (TPSA) 207.00 Ų
XlogP 0.00

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Dihydromyricetin 3-rhamnoside

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 99.62% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.22% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 94.14% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.49% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 92.46% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.01% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.37% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.93% 99.23%
CHEMBL2581 P07339 Cathepsin D 90.87% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.42% 96.09%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 88.35% 95.64%
CHEMBL3714130 P46095 G-protein coupled receptor 6 87.61% 97.36%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.81% 99.15%
CHEMBL4208 P20618 Proteasome component C5 84.21% 90.00%
CHEMBL3194 P02766 Transthyretin 84.20% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.26% 99.17%

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.
Catha edulis
Epilobium parviflorum
Hypericum aucheri
Plinia pinnata
Vitis vinifera

Cross-Links

Top
PubChem 3754658
LOTUS LTS0261722
wikiData Q105223977