General Information of the Compound
Compound ID
CP0905709
Compound Name
Cedeodarin
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Structure
Formula
C16H14O7
Molecular Weight
318.281
Canonical SMILES
Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2
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InChI
InChI=1S/C16H14O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,15-20,22H,1H3/t15-,16+/m0/s1
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InChIKey
KPCWWZLBHGSXPW-JKSUJKDBSA-N
Physicochemical Property
logP
1.49472
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
127.45
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
7
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: 182026
ChEMBL ID
CHEMBL4471098
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 = 2190 nM
   TI
   LI
   LO
   TS