3,4-Dihydroxy-4',5-dimethoxybibenzyl

Details

Top
Internal ID 80d5b842-7a54-4da6-b841-f3960560211b
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 3-methoxy-5-[2-(4-methoxyphenyl)ethyl]benzene-1,2-diol
SMILES (Canonical) COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)O
SMILES (Isomeric) COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)O
InChI InChI=1S/C16H18O4/c1-19-13-7-5-11(6-8-13)3-4-12-9-14(17)16(18)15(10-12)20-2/h5-10,17-18H,3-4H2,1-2H3
InChI Key QUSGGAWWVBQNLE-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H18O4
Molecular Weight 274.31 g/mol
Exact Mass 274.12050905 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.40

Synonyms

Top
3,4-dihydroxy-4',5-dimethoxybibenzyl

2D Structure

Top
2D Structure of 3,4-Dihydroxy-4',5-dimethoxybibenzyl

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 98.64% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.32% 96.09%
CHEMBL4208 P20618 Proteasome component C5 93.33% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.39% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.86% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.55% 86.33%
CHEMBL2581 P07339 Cathepsin D 88.85% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.46% 92.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.47% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.16% 99.15%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.99% 90.24%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.50% 86.92%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.20% 95.89%
CHEMBL2535 P11166 Glucose transporter 84.12% 98.75%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.99% 92.68%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.40% 96.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.76% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.46% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.84% 95.50%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 81.18% 95.17%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 80.52% 96.09%
CHEMBL4581 P52732 Kinesin-like protein 1 80.41% 93.18%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.31% 95.89%

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.
Dendrobium moniliforme

Cross-Links

Top
PubChem 21575213
LOTUS LTS0198130
wikiData Q105228398