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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H20O5
Molecular Weight 340.3698
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VARIECOXANTHONE A

SMILES

CC(C)=CCOC1=C(CO)C2=C(OC3=CC=CC(O)=C3C2=O)C=C1C

InChI

InChIKey=YZRMQCFQSYXWHZ-UHFFFAOYSA-N
InChI=1S/C20H20O5/c1-11(2)7-8-24-20-12(3)9-16-17(13(20)10-21)19(23)18-14(22)5-4-6-15(18)25-16/h4-7,9,21-22H,8,10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H20O5
Molecular Weight 340.3698
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 11:54:20 GMT 2023
Edited
by admin
on Sat Dec 16 11:54:20 GMT 2023
Record UNII
J9Z30KKK1J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VARIECOXANTHONE A
Common Name English
9H-XANTHEN-9-ONE, 8-HYDROXY-1-(HYDROXYMETHYL)-3-METHYL-2-((3-METHYL-2-BUTEN-1-YL)OXY)-
Systematic Name English
8-HYDROXY-1-(HYDROXYMETHYL)-3-METHYL-2-((3-METHYL-2-BUTEN-1-YL)OXY)-9H-XANTHEN-9-ONE
Systematic Name English
8-HYDROXY-1-(HYDROXYMETHYL)-3-METHYL-2-(3-METHYLBUT-2-ENOXY)XANTHEN-9-ONE
Systematic Name English
Code System Code Type Description
MANUFACTURER PRODUCT INFORMATION
VARIECOXANTHONE A
Created by admin on Sat Dec 16 11:54:20 GMT 2023 , Edited by admin on Sat Dec 16 11:54:20 GMT 2023
PRIMARY
FDA UNII
J9Z30KKK1J
Created by admin on Sat Dec 16 11:54:20 GMT 2023 , Edited by admin on Sat Dec 16 11:54:20 GMT 2023
PRIMARY
PUBCHEM
23252150
Created by admin on Sat Dec 16 11:54:20 GMT 2023 , Edited by admin on Sat Dec 16 11:54:20 GMT 2023
PRIMARY
CAS
55812-94-7
Created by admin on Sat Dec 16 11:54:20 GMT 2023 , Edited by admin on Sat Dec 16 11:54:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID50631580
Created by admin on Sat Dec 16 11:54:20 GMT 2023 , Edited by admin on Sat Dec 16 11:54:20 GMT 2023
PRIMARY