3-[3-(2-Hydroxy-5-methoxyphenyl)prop-2-enyl]-2,6-dimethoxyphenol

Details

Top
Internal ID bdd0ed56-81e2-489f-ac7c-e5dbee3a53ba
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
IUPAC Name 3-[3-(2-hydroxy-5-methoxyphenyl)prop-2-enyl]-2,6-dimethoxyphenol
SMILES (Canonical) COC1=CC(=C(C=C1)O)C=CCC2=C(C(=C(C=C2)OC)O)OC
SMILES (Isomeric) COC1=CC(=C(C=C1)O)C=CCC2=C(C(=C(C=C2)OC)O)OC
InChI InChI=1S/C18H20O5/c1-21-14-8-9-15(19)13(11-14)6-4-5-12-7-10-16(22-2)17(20)18(12)23-3/h4,6-11,19-20H,5H2,1-3H3
InChI Key NSKDJRUUEJWZEF-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
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

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 3-[3-(2-Hydroxy-5-methoxyphenyl)prop-2-enyl]-2,6-dimethoxyphenol

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
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 99.37% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.44% 99.15%
CHEMBL4208 P20618 Proteasome component C5 93.17% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.90% 86.33%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 92.85% 98.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.10% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.92% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.50% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.83% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 86.15% 90.20%
CHEMBL3194 P02766 Transthyretin 85.40% 90.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.00% 89.62%
CHEMBL1907 P15144 Aminopeptidase N 83.41% 93.31%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.19% 94.00%
CHEMBL2535 P11166 Glucose transporter 82.97% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.23% 93.99%
CHEMBL3492 P49721 Proteasome Macropain subunit 82.13% 90.24%
CHEMBL1951 P21397 Monoamine oxidase A 80.70% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.42% 94.45%

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.
Dalbergia lanceolaria subsp. paniculata

Cross-Links

Top
PubChem 73095177
LOTUS LTS0206135
wikiData Q105185091