1,3-Dimethoxy-5-(2-phenylethenyl)benzene

Details

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Internal ID 55cc60e9-5d42-4e1c-a0da-35908a44e6b6
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 1,3-dimethoxy-5-(2-phenylethenyl)benzene
SMILES (Canonical) COC1=CC(=CC(=C1)C=CC2=CC=CC=C2)OC
SMILES (Isomeric) COC1=CC(=CC(=C1)C=CC2=CC=CC=C2)OC
InChI InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3
InChI Key BIYGTLDPTJMNET-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C16H16O2
Molecular Weight 240.30 g/mol
Exact Mass 240.115029749 g/mol
Topological Polar Surface Area (TPSA) 18.50 Ų
XlogP 4.10

Synonyms

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Benzene, 1,3-dimethoxy-5-(2-phenylethenyl)-
BIYGTLDPTJMNET-UHFFFAOYSA-N
DTXSID201032440
BCP18619
AKOS028109867
FT-0641701
FT-0660020
A839529
Trans-3,5-Dimethoxystilbene;trans-Pinosylvin dimethyl ether

2D Structure

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2D Structure of 1,3-Dimethoxy-5-(2-phenylethenyl)benzene

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
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 96.19% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.17% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.76% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.47% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.41% 93.99%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 89.25% 94.08%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 83.34% 94.62%
CHEMBL3401 O75469 Pregnane X receptor 82.79% 94.73%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 82.43% 92.86%
CHEMBL2581 P07339 Cathepsin D 81.98% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.47% 96.09%

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.
Alnus maximowiczii
Lonchocarpus chiricanus
Osteospermum ilicifolium
Pinus albicaulis
Pinus brutia var. pityusa
Pinus parviflora
Pinus sibirica

Cross-Links

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PubChem 238778
LOTUS LTS0130313
wikiData Q104936881