U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C24H28O4
Molecular Weight 380.4767
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KINOCOUMARIN

SMILES

CC(C)(C=C)C1=CC2=C(OC1(C)C)C(=C3OC(=O)C=CC3=C2O)C(C)(C)C=C

InChI

InChIKey=OPQNNWVPHFUNEH-UHFFFAOYSA-N
InChI=1S/C24H28O4/c1-9-22(3,4)16-13-15-19(26)14-11-12-17(25)27-20(14)18(23(5,6)10-2)21(15)28-24(16,7)8/h9-13,26H,1-2H2,3-8H3

HIDE SMILES / InChI

Molecular Formula C24H28O4
Molecular Weight 380.4767
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:48:06 GMT 2023
Edited
by admin
on Sat Dec 16 16:48:06 GMT 2023
Record UNII
6A5C8UK4RE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KINOCOUMARIN
Common Name English
2H,8H-BENZO(1,2-B:5,4-B')DIPYRAN-2-ONE, 7,10-BIS(1,1-DIMETHYL-2-PROPEN-1-YL)-5-HYDROXY-8,8-DIMETHYL-
Systematic Name English
2,2-DIMETHYL-3,10-BIS(2-METHYLBUT-3-EN-2-YL)-5-OXIDANYL-PYRANO(3,2-G)CHROMEN-8-ONE
Systematic Name English
7,10-BIS(1,1-DIMETHYL-2-PROPEN-1-YL)-5-HYDROXY-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:5,4-B')DIPYRAN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
14213975
Created by admin on Sat Dec 16 16:48:06 GMT 2023 , Edited by admin on Sat Dec 16 16:48:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID501114823
Created by admin on Sat Dec 16 16:48:06 GMT 2023 , Edited by admin on Sat Dec 16 16:48:06 GMT 2023
PRIMARY
FDA UNII
6A5C8UK4RE
Created by admin on Sat Dec 16 16:48:06 GMT 2023 , Edited by admin on Sat Dec 16 16:48:06 GMT 2023
PRIMARY
CAS
119139-65-0
Created by admin on Sat Dec 16 16:48:06 GMT 2023 , Edited by admin on Sat Dec 16 16:48:06 GMT 2023
PRIMARY