(r)-(+)-2-(3-Hydroxy-3-phenylpropyl)-3,5,6-trimethoxyphenol

Details

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Internal ID b2260373-40d4-4307-b7d7-e56e203eed6d
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 2-[(3R)-3-hydroxy-3-phenylpropyl]-3,5,6-trimethoxyphenol
SMILES (Canonical) COC1=CC(=C(C(=C1CCC(C2=CC=CC=C2)O)O)OC)OC
SMILES (Isomeric) COC1=CC(=C(C(=C1CC[C@H](C2=CC=CC=C2)O)O)OC)OC
InChI InChI=1S/C18H22O5/c1-21-15-11-16(22-2)18(23-3)17(20)13(15)9-10-14(19)12-7-5-4-6-8-12/h4-8,11,14,19-20H,9-10H2,1-3H3/t14-/m1/s1
InChI Key GWMKXYJLYZSOMC-CQSZACIVSA-N
Popularity 1 reference 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 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (r)-(+)-2-(3-Hydroxy-3-phenylpropyl)-3,5,6-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 98.01% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.44% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.73% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.44% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.20% 99.17%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 89.72% 94.08%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.63% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.19% 86.33%
CHEMBL1255126 O15151 Protein Mdm4 88.62% 90.20%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.19% 96.00%
CHEMBL2535 P11166 Glucose transporter 87.98% 98.75%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.13% 94.62%
CHEMBL3902 P09211 Glutathione S-transferase Pi 86.09% 93.81%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.28% 99.15%
CHEMBL1907 P15144 Aminopeptidase N 83.05% 93.31%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.89% 93.99%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.59% 89.62%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.17% 95.50%

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.
Uvaria welwitschii

Cross-Links

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PubChem 129844565
LOTUS LTS0049852
wikiData Q105022519