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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H16O5
Molecular Weight 336.338
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSOJAGOL

SMILES

CC(C)=CCC1=C(O)C=CC2=C1OC3=C2C(=O)OC4=C3C=CC(O)=C4

InChI

InChIKey=MQKLGUOASGICKG-UHFFFAOYSA-N
InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-17-19(25-18(12)14)13-6-4-11(21)9-16(13)24-20(17)23/h3-4,6-9,21-22H,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H16O5
Molecular Weight 336.338
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 Mon Mar 31 23:44:20 GMT 2025
Edited
by admin
on Mon Mar 31 23:44:20 GMT 2025
Record UNII
OVN16630N9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE, 3,9-DIHYDROXY-10-(3-METHYL-2-BUTEN-1-YL)-
Preferred Name English
ISOSOJAGOL
Common Name English
6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE, 3,9-DIHYDROXY-10-(3-METHYL-2-BUTENYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701135974
Created by admin on Mon Mar 31 23:44:20 GMT 2025 , Edited by admin on Mon Mar 31 23:44:20 GMT 2025
PRIMARY
FDA UNII
OVN16630N9
Created by admin on Mon Mar 31 23:44:20 GMT 2025 , Edited by admin on Mon Mar 31 23:44:20 GMT 2025
PRIMARY
CAS
94390-15-5
Created by admin on Mon Mar 31 23:44:20 GMT 2025 , Edited by admin on Mon Mar 31 23:44:20 GMT 2025
PRIMARY
PUBCHEM
16744613
Created by admin on Mon Mar 31 23:44:20 GMT 2025 , Edited by admin on Mon Mar 31 23:44:20 GMT 2025
PRIMARY