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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H14O4
Molecular Weight 318.3228
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XESTOQUINONE, (+)-

SMILES

C[C@@]12CCCC3=COC(=C13)C(=O)C4=CC5=C(C=C24)C(=O)C=CC5=O

InChI

InChIKey=HDONDRKCXFRHQQ-FQEVSTJZSA-N
InChI=1S/C20H14O4/c1-20-6-2-3-10-9-24-19(17(10)20)18(23)13-7-11-12(8-14(13)20)16(22)5-4-15(11)21/h4-5,7-9H,2-3,6H2,1H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H14O4
Molecular Weight 318.3228
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 Wed Apr 02 11:21:41 GMT 2025
Edited
by admin
on Wed Apr 02 11:21:41 GMT 2025
Record UNII
V44PLT6RWZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-XESTOQUINONE
Preferred Name English
XESTOQUINONE, (+)-
Common Name English
1H-BENZO(6,7)PHENANTHRO(10,1-BC)FURAN-6,8,11(12BH)-TRIONE, 2,3-DIHYDRO-12B-METHYL-, (12BS)-
Systematic Name English
(12BS)-2,3-DIHYDRO-12B-METHYL-1H-BENZO(6,7)PHENANTHRO(10,1-BC)FURAN-6,8,11(12BH)-TRIONE
Systematic Name English
XESTOQUINONE
Common Name English
Code System Code Type Description
WIKIPEDIA
Xestoquinone
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
CAS
97743-96-9
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
PUBCHEM
122838
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
FDA UNII
V44PLT6RWZ
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID90913675
Created by admin on Wed Apr 02 11:21:41 GMT 2025 , Edited by admin on Wed Apr 02 11:21:41 GMT 2025
PRIMARY