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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14O6
Molecular Weight 314.2895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,3?-Di-O-methylorobol

SMILES

COC1=CC2=C(C(=O)C(=CO2)C3=CC(OC)=C(O)C=C3)C(O)=C1

InChI

InChIKey=NMQZMHHAWZDJOJ-UHFFFAOYSA-N
InChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-11(17(16)20)9-3-4-12(18)14(5-9)22-2/h3-8,18-19H,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H14O6
Molecular Weight 314.2895
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 05:17:24 GMT 2025
Edited
by admin
on Wed Apr 02 05:17:24 GMT 2025
Record UNII
6F9769R45G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,3?-Di-O-methylorobol
Common Name English
4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-
Preferred Name English
7-METHOXY-3-(3-METHOXY-4-OXIDANYL-PHENYL)-5-OXIDANYL-CHROMEN-4-ONE
Systematic Name English
5-HYDROXY-3-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXYCHROMEN-4-ONE
Systematic Name English
5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Systematic Name English
Code System Code Type Description
PUBCHEM
13845970
Created by admin on Wed Apr 02 05:17:24 GMT 2025 , Edited by admin on Wed Apr 02 05:17:24 GMT 2025
PRIMARY
FDA UNII
6F9769R45G
Created by admin on Wed Apr 02 05:17:24 GMT 2025 , Edited by admin on Wed Apr 02 05:17:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID401314292
Created by admin on Wed Apr 02 05:17:24 GMT 2025 , Edited by admin on Wed Apr 02 05:17:24 GMT 2025
PRIMARY
CAS
104668-88-4
Created by admin on Wed Apr 02 05:17:24 GMT 2025 , Edited by admin on Wed Apr 02 05:17:24 GMT 2025
PRIMARY