General Information of the Compound
Compound ID
CP0900071
Compound Name
beta-Naphthyl-beta-D-glucopyranoside
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Structure
Formula
C16H18O6
Molecular Weight
306.314
Canonical SMILES
OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
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InChI
InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13-,14+,15-,16-/m1/s1
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InChIKey
MWHKPYATGMFFPI-IBEHDNSVSA-N
Physicochemical Property
logP
0.0185
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
99.38
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
22

"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).

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PubChem ID
CID: 111141
SID: 14870031
ChEMBL ID
CHEMBL4469508
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: PT06702, Taste receptor type 2 member 16
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000902 HEK293/Galpha15 Homo sapiens (Human)  1
1
Activity = 400000 nM
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   LI
   LO
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