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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18O3
Molecular Weight 246.3016
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,6-DI-OXOISODENDROLASIN,(Z)-

SMILES

CC(C)=CC(=O)\C=C(\C)CCC(=O)C1=COC=C1

InChI

InChIKey=BPECSJWVNSQYFV-XFXZXTDPSA-N
InChI=1S/C15H18O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-10H,4-5H2,1-3H3/b12-9-

HIDE SMILES / InChI

Molecular Formula C15H18O3
Molecular Weight 246.3016
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:40:46 GMT 2025
Edited
by admin
on Tue Apr 01 20:40:46 GMT 2025
Record UNII
22SDP4G75U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,6-DIOXOISODENDROLASIN, (Z)-
Preferred Name English
1,6-DI-OXOISODENDROLASIN,(Z)-
Common Name English
(4Z)-1-(3-FURYL)-4,8-DIMETHYL-NONA-4,7-DIENE-1,6-DIONE
Systematic Name English
(4Z)-1-(FURAN-3-YL)-4,8-DIMETHYLNONA-4,7-DIENE-1,6-DIONE
Systematic Name English
4,7-NONADIENE-1,6-DIONE, 1-(3-FURANYL)-4,8-DIMETHYL-, (Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
22SDP4G75U
Created by admin on Tue Apr 01 20:40:46 GMT 2025 , Edited by admin on Tue Apr 01 20:40:46 GMT 2025
PRIMARY
PUBCHEM
91982685
Created by admin on Tue Apr 01 20:40:46 GMT 2025 , Edited by admin on Tue Apr 01 20:40:46 GMT 2025
PRIMARY
CAS
92448-65-2
Created by admin on Tue Apr 01 20:40:46 GMT 2025 , Edited by admin on Tue Apr 01 20:40:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID80757883
Created by admin on Tue Apr 01 20:40:46 GMT 2025 , Edited by admin on Tue Apr 01 20:40:46 GMT 2025
PRIMARY