4-[3-(4-Hydroxy-3-methoxyphenyl)propyl]-2,6-dimethoxyphenol

Details

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Internal ID 44f41c3e-edf3-40f0-a125-9a27de6f7067
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 4-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2,6-dimethoxyphenol
SMILES (Canonical) COC1=CC(=CC(=C1O)OC)CCCC2=CC(=C(C=C2)O)OC
SMILES (Isomeric) COC1=CC(=CC(=C1O)OC)CCCC2=CC(=C(C=C2)O)OC
InChI InChI=1S/C18H22O5/c1-21-15-9-12(7-8-14(15)19)5-4-6-13-10-16(22-2)18(20)17(11-13)23-3/h7-11,19-20H,4-6H2,1-3H3
InChI Key FHKKEKQKYAGUKW-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H22O5
Molecular Weight 318.40 g/mol
Exact Mass 318.14672380 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[3-(4-Hydroxy-3-methoxyphenyl)propyl]-2,6-dimethoxyphenol

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 98.29% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.62% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.07% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.15% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.10% 86.33%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 90.80% 95.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.42% 90.24%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.36% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.97% 94.00%
CHEMBL1255126 O15151 Protein Mdm4 83.57% 90.20%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.27% 95.89%
CHEMBL2535 P11166 Glucose transporter 81.10% 98.75%
CHEMBL4208 P20618 Proteasome component C5 80.91% 90.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.28% 92.94%

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.
Combretum griffithii

Cross-Links

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PubChem 73349087
LOTUS LTS0090743
wikiData Q104995317