4-[3-(3-Hydroxy-4-methoxyphenyl)prop-2-enyl]-2,3-dimethoxyphenol

Details

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Internal ID 7e29dd51-16d8-4002-9ad7-4db418131d9b
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 4-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enyl]-2,3-dimethoxyphenol
SMILES (Canonical) COC1=C(C=C(C=C1)C=CCC2=C(C(=C(C=C2)O)OC)OC)O
SMILES (Isomeric) COC1=C(C=C(C=C1)C=CCC2=C(C(=C(C=C2)O)OC)OC)O
InChI InChI=1S/C18H20O5/c1-21-16-10-7-12(11-15(16)20)5-4-6-13-8-9-14(19)18(23-3)17(13)22-2/h4-5,7-11,19-20H,6H2,1-3H3
InChI Key LNXCGMDIRKMWRL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H20O5
Molecular Weight 316.30 g/mol
Exact Mass 316.13107373 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[3-(3-Hydroxy-4-methoxyphenyl)prop-2-enyl]-2,3-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 98.10% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.33% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 94.31% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.78% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.29% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.00% 99.17%
CHEMBL3194 P02766 Transthyretin 89.81% 90.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.09% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.91% 95.56%
CHEMBL1255126 O15151 Protein Mdm4 88.25% 90.20%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.33% 91.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.20% 99.15%
CHEMBL4208 P20618 Proteasome component C5 86.04% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.79% 90.24%
CHEMBL2535 P11166 Glucose transporter 84.83% 98.75%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.28% 96.95%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 81.11% 80.78%

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.
Dalbergia candenatensis

Cross-Links

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PubChem 74976113
LOTUS LTS0082385
wikiData Q105154557