General Information of the Compound
Compound ID
CP0938471
Compound Name
Sericoside
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Structure
Formula
C36H58O11
Molecular Weight
666.849
Canonical SMILES
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)[C@H]2[C@@H]1O
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InChI
InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20-,21?,22?,23+,24-,25+,26-,27+,28+,29+,32+,33-,34-,35-,36+/m1/s1
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InChIKey
CMZFNIMQBCBHEX-UXMVMDMOSA-N
Physicochemical Property
logP
1.4061
Rotatable Bonds
4
Heavy Atom Count
47
Polar Areas
197.37
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
11
Complexity
47

"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: 155551299
ChEMBL ID
CHEMBL4541313
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 = 3520 nM
   TI
   LI
   LO
   TS