4-[2-(2,6-Dimethoxy-4-prop-2-enylphenoxy)propyl]-2-methoxyphenol

Details

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Internal ID 99813ad3-29ca-4dfc-9469-902d4eca4af3
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-2-methoxyphenol
SMILES (Canonical) CC(CC1=CC(=C(C=C1)O)OC)OC2=C(C=C(C=C2OC)CC=C)OC
SMILES (Isomeric) CC(CC1=CC(=C(C=C1)O)OC)OC2=C(C=C(C=C2OC)CC=C)OC
InChI InChI=1S/C21H26O5/c1-6-7-15-12-19(24-4)21(20(13-15)25-5)26-14(2)10-16-8-9-17(22)18(11-16)23-3/h6,8-9,11-14,22H,1,7,10H2,2-5H3
InChI Key ASBSHOMCYZRGRD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C21H26O5
Molecular Weight 358.40 g/mol
Exact Mass 358.17802393 g/mol
Topological Polar Surface Area (TPSA) 57.20 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[2-(2,6-Dimethoxy-4-prop-2-enylphenoxy)propyl]-2-methoxyphenol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.66% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.76% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.47% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.12% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.59% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.37% 95.56%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 89.96% 95.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 89.95% 90.24%
CHEMBL1255126 O15151 Protein Mdm4 89.89% 90.20%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.81% 99.15%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.74% 89.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.41% 86.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.82% 95.50%
CHEMBL4208 P20618 Proteasome component C5 84.84% 90.00%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 80.46% 89.44%

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.
Myristica fragrans

Cross-Links

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PubChem 21770236
LOTUS LTS0151416
wikiData Q104917727