4-[3-(2-Hydroxy-5-methoxyphenyl)prop-2-enyl]-2,3-dimethoxyphenol

Details

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Internal ID ef547e43-0327-4873-8dba-a069b02930f5
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 4-[3-(2-hydroxy-5-methoxyphenyl)prop-2-enyl]-2,3-dimethoxyphenol
SMILES (Canonical) COC1=CC(=C(C=C1)O)C=CCC2=C(C(=C(C=C2)O)OC)OC
SMILES (Isomeric) COC1=CC(=C(C=C1)O)C=CCC2=C(C(=C(C=C2)O)OC)OC
InChI InChI=1S/C18H20O5/c1-21-14-8-10-15(19)13(11-14)6-4-5-12-7-9-16(20)18(23-3)17(12)22-2/h4,6-11,19-20H,5H2,1-3H3
InChI Key OJCPRXZOVVHWKG-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-(2-Hydroxy-5-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 99.47% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.72% 99.15%
CHEMBL4208 P20618 Proteasome component C5 92.55% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.39% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.49% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.56% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.44% 96.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.06% 93.99%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.64% 99.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.52% 90.24%
CHEMBL2535 P11166 Glucose transporter 81.31% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 80.51% 94.73%

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 cultrata

Cross-Links

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PubChem 85152302
LOTUS LTS0015491
wikiData Q105192998