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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28O6
Molecular Weight 424.4862
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KUSHENOL E

SMILES

CC(C)=CCC1=C(O)C(CC=C(C)C)=C2O[C@@H](CC(=O)C2=C1O)C3=C(O)C=C(O)C=C3

InChI

InChIKey=ZTEYEFPSJPSRRA-NRFANRHFSA-N
InChI=1S/C25H28O6/c1-13(2)5-8-17-23(29)18(9-6-14(3)4)25-22(24(17)30)20(28)12-21(31-25)16-10-7-15(26)11-19(16)27/h5-7,10-11,21,26-27,29-30H,8-9,12H2,1-4H3/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H28O6
Molecular Weight 424.4862
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:40:42 UTC 2023
Edited
by admin
on Sat Dec 16 01:40:42 UTC 2023
Record UNII
U5JUH7PH28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KUSHENOL E
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2-(2,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5,7-DIHYDROXY-6,8-BIS(3-METHYL-2-BUTEN-1-YL)-, (2S)-
Systematic Name English
(2S)-2-(2,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-6,8-BIS(3-METHYLBUT-2-ENYL)CHROMAN-4-ONE
Systematic Name English
FLEMIPHILIPPININ D
Common Name English
(2S)-2-(2,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5,7-DIHYDROXY-6,8-BIS(3-METHYL-2-BUTEN-1-YL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
Code System Code Type Description
MANUFACTURER PRODUCT INFORMATION
KUSHENOL E
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
PUBCHEM
127234
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
CAS
99119-72-9
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID80912859
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
FDA UNII
U5JUH7PH28
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
ACTIVE MOIETY