Showing entry for 2-Methoxy-5-(3,4,5-Trimethoxyphenethyl)Phenol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0040019
Compound Name2-Methoxy-5-(3,4,5-Trimethoxyphenethyl)Phenol
Structure
FormulaC18H22O5
InchiKeyUXDFUVFNIAJEGM-UHFFFAOYSA-N
SMILESCOc1cc(CCc2ccc(c(c2)O)OC)cc(c1OC)OC
InchiInChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
IUPAC2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Molecular Weight318.15
Pubchem Id356759
Chembl IdCHEMBL10557
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50005478
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT016212 Tubulin beta-2B chain reviewed TUBB2B - 630 - -
CHEMBL CHEMBL10557
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q9BUF5 BXGT020135 Tubulin beta-6 chain reviewed Cellular structure TUBB6 IC50 '=' 3311 nM
Q9BVA1 BXGT020142 Tubulin beta-2B chain reviewed - TUBB2B IC50 '=' 3311 nM
Q13885 BXGT013400 Tubulin beta-2A chain reviewed Cellular structure TUBB2A IC50 '=' 3311 nM
Q6PEY2 BXGT016465 Tubulin alpha-3E chain reviewed Cellular structure TUBA3E IC50 '=' 3311 nM
Q9BQE3 BXGT020109 Tubulin alpha-1C chain reviewed Cellular structure TUBA1C IC50 '=' 3311 nM
P68363 BXGT011594 Tubulin alpha-1B chain reviewed Cellular structure TUBA1B IC50 '=' 3311 nM
P07437 BXGT006624 Tubulin beta chain reviewed Cellular structure TUBB IC50 '=' 3311 nM
Q3ZCM7 BXGT014551 Tubulin beta-8 chain reviewed - TUBB8 IC50 '=' 3311 nM
P04350 BXGT006193 Tubulin beta-4A chain reviewed Cellular structure TUBB4A IC50 '=' 3311 nM
Q71U36 BXGT016705 Tubulin alpha-1A chain reviewed Cellular structure TUBA1A IC50 '=' 3311 nM
Q13509 BXGT013366 Tubulin beta-3 chain reviewed Cellular structure TUBB3 IC50 '=' 3311 nM
P68366 BXGT011595 Tubulin alpha-4A chain reviewed Cellular structure TUBA4A IC50 '=' 3311 nM
P0DPH7 BXGT007527 Tubulin alpha-3C chain reviewed - TUBA3C IC50 '=' 3311 nM
Q9H4B7 BXGT020475 Tubulin beta-1 chain reviewed Cellular structure TUBB1 IC50 '=' 3311 nM
P68371 BXGT011597 Tubulin beta-4B chain reviewed Cellular structure TUBB4B IC50 '=' 3311 nM
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - Inhibition '=' 67 %
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - Inhibition '=' 67 %
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B Inhibition '=' 67 %
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B IC50 '=' 630 nM
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 3500 nM
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 3500 nM
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B IC50 '=' 3500 nM
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - Inhibition '=' 65 %
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - Inhibition '=' 65 %
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B Inhibition '=' 65 %
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 1600 nM
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 1600 nM
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B IC50 '=' 1600 nM
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - Inhibition '=' 79 %
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - Inhibition '=' 79 %
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B Inhibition '=' 79 %
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 1400 nM
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 1400 nM
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B IC50 '=' 1400 nM
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 630 nM
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 630 nM
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B IC50 '=' 630 nM
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - Inhibition '=' 80 %
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - Inhibition '=' 80 %
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B Inhibition '=' 80 %
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 3300 nM
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - IC50 '=' 3300 nM
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B IC50 '=' 3300 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01267 Dendrobium chrysanthum Dendrobium chrysanthum Medicinal Plant
BXGF03161 Dendrobium chrysotoxum Dendrobium chrysotoxum Medicinal Plant
BXGF03346 Dendrobium candidum Dendrobium candidum Others
BXGF03632 Dendrobium fimbriatum Dendrobium fimbriatum Medicinal Plant
BXGF05173 Dendrobium nobile Dendrobium nobile Medicinal Plant
BXGF06069 Dendrobium loddigesii Dendrobium loddigesii Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease