2-[(6-Hydroxy-2,3,4-trimethoxyphenyl)methyl]-3,4,5-trimethoxyphenol

Details

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Internal ID 867bfc1c-96c1-4ee8-90a0-9c76ef07ce3f
Taxonomy Benzenoids > Benzene and substituted derivatives > Diphenylmethanes
IUPAC Name 2-[(6-hydroxy-2,3,4-trimethoxyphenyl)methyl]-3,4,5-trimethoxyphenol
SMILES (Canonical) COC1=C(C(=C(C(=C1)O)CC2=C(C(=C(C=C2O)OC)OC)OC)OC)OC
SMILES (Isomeric) COC1=C(C(=C(C(=C1)O)CC2=C(C(=C(C=C2O)OC)OC)OC)OC)OC
InChI InChI=1S/C19H24O8/c1-22-14-8-12(20)10(16(24-3)18(14)26-5)7-11-13(21)9-15(23-2)19(27-6)17(11)25-4/h8-9,20-21H,7H2,1-6H3
InChI Key BEYHHJNEZVRZTD-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H24O8
Molecular Weight 380.40 g/mol
Exact Mass 380.14711772 g/mol
Topological Polar Surface Area (TPSA) 95.80 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[(6-Hydroxy-2,3,4-trimethoxyphenyl)methyl]-3,4,5-trimethoxyphenol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 94.60% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.62% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.43% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.73% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.54% 94.00%
CHEMBL1255126 O15151 Protein Mdm4 83.40% 90.20%
CHEMBL4208 P20618 Proteasome component C5 82.87% 90.00%
CHEMBL2535 P11166 Glucose transporter 81.03% 98.75%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.54% 89.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.38% 96.00%

Plants that contains it

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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.
Diospyros maritima

Cross-Links

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PubChem 91447836
LOTUS LTS0082265
wikiData Q104933749