General Information of the Compound
Compound ID
CP0347682
Compound Name
3-hydroxy-7-o-beta-glucose-8-prenyl-4'-methoxy Chrysin
    Show/Hide
Synonyms
118525-40-9
3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
AC1NSXIV
AK168251
AKOS015896858
Anhydroicaritin
BDBM50272527
BIDD:ER0021
CHEMBL498485
CS-3679
DB12672
DTXSID00152154
HY-N0678
ICARITIN
Icaritin
Icaritin(Anhydroicaritin)
Icaritin, &gt
Icartin
MLS006010055
MolPort-020-006-012
NCGC00345813-01
SCHEMBL4223542
SMR004701218
TUUXBSASAQJECY-UHFFFAOYSA-N
UFE666UELY
UNII-UFE666UELY
ZINC14762797
    Show/Hide
Structure
Formula
C21H20O6
Molecular Weight
368.385
Canonical SMILES
COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O
    Show/Hide
InChI
InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
    Show/Hide
InChIKey
TUUXBSASAQJECY-UHFFFAOYSA-N
CAS
118525-40-9
Physicochemical Property
logP
4.0941
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
100.13
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5318980
SID: 16574826
ChEMBL ID
CHEMBL498485
DrugBank ID
DB12672
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: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 2200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ICARITIN )
Drug Name ICARITIN
Indication
Breast cancer
Phase 2
Target(s)
Estrogen receptor (ESR)
 Target Info 
Modulator