General Information of the Compound
Compound ID
CP0384349
Compound Name
10-methoxy-N(1)-methylburnamine-17-O-veratrate
    Show/Hide
Synonyms
10-methoxy-N(1)-methylburnamine-17-O-veratrate
CHEMBL592603
    Show/Hide
Structure
Formula
C32H36N2O8
Molecular Weight
576.646
Canonical SMILES
COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2
    Show/Hide
InChI
InChI=1S/C32H36N2O8/c1-7-18-16-34-26-14-21(18)30(29(36)40-6,17-41-28(35)19-8-11-24(38-4)25(12-19)39-5)31-15-27(34)42-32(26,31)33(2)23-10-9-20(37-3)13-22(23)31/h7-13,21,26-27H,14-17H2,1-6H3/b18-7-/t21-,26-,27-,30-,31-,32-/m0/s1
    Show/Hide
InChIKey
DTINADCHYFZWSG-BUVDGYSPSA-N
Physicochemical Property
logP
3.5231
Rotatable Bonds
7
Heavy Atom Count
42
Polar Areas
96
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
Complexity
42

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46229075
ChEMBL ID
CHEMBL592603
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03804, Sodium/glucose cotransporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02415, Sodium/glucose cotransporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 10-methoxy-N(1)-methylburnamine-17-O-veratrate )
Drug Name 10-methoxy-N(1)-methylburnamine-17-O-veratrate
Target(s)
SLC5A2 messenger RNA (SLC5A2 mRNA)
Inhibitor
Sodium/glucose cotransporter 1 (SGLT1)
Inhibitor