2,3',4,5'-Tetramethoxystilbene

Details

Top
Internal ID e6752476-66f5-4223-835e-7bb5b81d3e2c
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILES (Canonical) COC1=CC(=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC
SMILES (Isomeric) COC1=CC(=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)OC
InChI InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
InChI Key JDBCWSHYEQUBLW-AATRIKPKSA-N
Popularity 48 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H20O4
Molecular Weight 300.30 g/mol
Exact Mass 300.13615911 g/mol
Topological Polar Surface Area (TPSA) 36.90 Ų
XlogP 4.10

Synonyms

Top
tms
2,3',4,5'-tetramethoxystilbene
(E)-1-(3,5-Dimethoxystyryl)-2,4-dimethoxybenzene
20578-92-1
2,4,3',5'-tetramethoxystilbene
(E)-2,3',4,5'-tetramethoxystilbene
CHEMBL46909
1-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene
Benzene, 1-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxy-
SR-01000597603
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 2,3',4,5'-Tetramethoxystilbene

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL2231 P04798 Cytochrome P450 1A1 300 nM
IC50
via Super-PRED
CHEMBL4878 Q16678 Cytochrome P450 1B1 2 nM
IC50
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 97.81% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.06% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.03% 91.11%
CHEMBL2487 P05067 Beta amyloid A4 protein 91.64% 96.74%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.37% 86.33%
CHEMBL3714130 P46095 G-protein coupled receptor 6 89.31% 97.36%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.62% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 87.27% 93.31%
CHEMBL4208 P20618 Proteasome component C5 86.62% 90.00%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 84.18% 92.86%
CHEMBL3492 P49721 Proteasome Macropain subunit 82.09% 90.24%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 81.42% 92.38%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.02% 100.00%

Plants that contains it

Top
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.
Maclura pomifera

Cross-Links

Top
PubChem 5354004
LOTUS LTS0161290
wikiData Q76304697