General Information of the Compound
Compound ID
CP0953093
Compound Name
Kojibiose
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Structure
Formula
C12H22O11
Molecular Weight
342.297
Canonical SMILES
O=C[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO
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InChI
InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1
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InChIKey
PZDOWFGHCNHPQD-OQPGPFOOSA-N
CAS
2140-29-6
Physicochemical Property
logP
-5.5546
Rotatable Bonds
8
Heavy Atom Count
23
Polar Areas
197.37
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
11
Complexity
23

"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: 164939
ChEMBL ID
CHEMBL4590792
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: PT06470, Olfactory receptor 51E2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000966 Hana3A Homo sapiens (Human)  1
1
EC50 = 1000 nM
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