General Information of the Compound
Compound ID
CP0862815
Compound Name
2-Hydroxy-1,8-cineole-glucopyranoside
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Structure
Formula
C15H26O7
Molecular Weight
318.366
Canonical SMILES
CC1(C)O[C@H]2CC[C@@H]1CC2OC1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
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InChI
InChI=1S/C15H26O7/c1-15(2)7-3-4-8(22-15)9(5-7)20-14-13(19)12(18)11(17)10(6-16)21-14/h7-14,16-19H,3-6H2,1-2H3/t7-,8+,9?,10+,11+,12-,13+,14?/m1/s1
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InChIKey
JJKASVIWTBPVIC-RFHNWBKUSA-N
Physicochemical Property
logP
-0.851
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
108.61
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
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: 155533753
ChEMBL ID
CHEMBL4469371
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: PT06670, Synaptojanin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 <= 15900 nM
   TI
   LI
   LO
   TS
Protein ID: PT06669, Synaptojanin-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1980 nM
   TI
   LI
   LO
   TS