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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12O6
Molecular Weight 312.2736
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRISOLONE

SMILES

COC1=C2OCOC2=CC3=C1C(=O)C(=CO3)C4=CC=C(O)C=C4

InChI

InChIKey=RSSZOUXCQUJNKL-UHFFFAOYSA-N
InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-11(15(14)19)9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H12O6
Molecular Weight 312.2736
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Phytochemical investigations on Iris germanica.
2010
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:53:52 GMT 2025
Edited
by admin
on Mon Mar 31 22:53:52 GMT 2025
Record UNII
076B48W589
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRISOLONE
MI  
Common Name English
4'-HYDROXY-5-METHOXY-6,7-METHYLENEDIOXYISOFLAVONE
Preferred Name English
8H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-8-ONE, 7-(4-HYDROXYPHENYL)-9-METHOXY-
Systematic Name English
IRISOLONE [MI]
Common Name English
NIGRICIN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50186646
Created by admin on Mon Mar 31 22:53:52 GMT 2025 , Edited by admin on Mon Mar 31 22:53:52 GMT 2025
PRIMARY
MERCK INDEX
m248
Created by admin on Mon Mar 31 22:53:52 GMT 2025 , Edited by admin on Mon Mar 31 22:53:52 GMT 2025
PRIMARY Merck Index
FDA UNII
076B48W589
Created by admin on Mon Mar 31 22:53:52 GMT 2025 , Edited by admin on Mon Mar 31 22:53:52 GMT 2025
PRIMARY
CAS
3301-68-6
Created by admin on Mon Mar 31 22:53:52 GMT 2025 , Edited by admin on Mon Mar 31 22:53:52 GMT 2025
PRIMARY
PUBCHEM
165103
Created by admin on Mon Mar 31 22:53:52 GMT 2025 , Edited by admin on Mon Mar 31 22:53:52 GMT 2025
PRIMARY