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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8O3
Molecular Weight 188.1794
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPLUMBAGIN

SMILES

CC1=CC(=O)C2=C(C(O)=CC=C2)C1=O

InChI

InChIKey=ZMOIGGHUSNHCAB-UHFFFAOYSA-N
InChI=1S/C11H8O3/c1-6-5-9(13)7-3-2-4-8(12)10(7)11(6)14/h2-5,12H,1H3

HIDE SMILES / InChI

Molecular Formula C11H8O3
Molecular Weight 188.1794
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 Wed Apr 02 06:23:25 GMT 2025
Edited
by admin
on Wed Apr 02 06:23:25 GMT 2025
Record UNII
SW8KH5YY53
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPLUMBAGIN
Common Name English
1,4-NAPHTHALENEDIONE, 8-HYDROXY-2-METHYL-
Preferred Name English
8-HYDROXY-2-METHYL-1,4-NAPHTHALENEDIONE
Systematic Name English
2-METHYL-8-HYDROXY-1,4-NAPHTHOQUINONE
Systematic Name English
2-METHYL-8-OXIDANYL-NAPHTHALENE-1,4-DIONE
Systematic Name English
Code System Code Type Description
CAS
14777-17-4
Created by admin on Wed Apr 02 06:23:25 GMT 2025 , Edited by admin on Wed Apr 02 06:23:25 GMT 2025
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PUBCHEM
375105
Created by admin on Wed Apr 02 06:23:25 GMT 2025 , Edited by admin on Wed Apr 02 06:23:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID701317990
Created by admin on Wed Apr 02 06:23:25 GMT 2025 , Edited by admin on Wed Apr 02 06:23:25 GMT 2025
PRIMARY
FDA UNII
SW8KH5YY53
Created by admin on Wed Apr 02 06:23:25 GMT 2025 , Edited by admin on Wed Apr 02 06:23:25 GMT 2025
PRIMARY