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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O4
Molecular Weight 196.1999
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EBRACTEOLATA COMPOUND B

SMILES

COC1=C(C(C)=O)C(O)=C(C)C(O)=C1

InChI

InChIKey=RFKMWWMZUHXFBA-UHFFFAOYSA-N
InChI=1S/C10H12O4/c1-5-7(12)4-8(14-3)9(6(2)11)10(5)13/h4,12-13H,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H12O4
Molecular Weight 196.1999
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 Sun Dec 18 18:49:34 UTC 2022
Edited
by admin
on Sun Dec 18 18:49:34 UTC 2022
Record UNII
X0457TK6C8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EBRACTEOLATA COMPOUND B
Common Name English
EBRACTEOLATA CPD B
Common Name English
2,4-DIHYDROXY-6-METHOXY-3-METHYLACETOPHENONE
Systematic Name English
2, 4-DIHYDROXY-6-METHOXY-3-METHYL-ACETOPHENONE
Systematic Name English
ETHANONE, 1-(2,4-DIHYDROXY-6-METHOXY-3-METHYLPHENYL)-
Systematic Name English
1-(2,4-DIHYDROXY-6-METHOXY-3-METHYLPHENYL)ETHANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
902138
Created by admin on Sun Dec 18 18:49:35 UTC 2022 , Edited by admin on Sun Dec 18 18:49:35 UTC 2022
PRIMARY
FDA UNII
X0457TK6C8
Created by admin on Sun Dec 18 18:49:35 UTC 2022 , Edited by admin on Sun Dec 18 18:49:35 UTC 2022
PRIMARY
CAS
83459-37-4
Created by admin on Sun Dec 18 18:49:35 UTC 2022 , Edited by admin on Sun Dec 18 18:49:35 UTC 2022
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
MAJOR
TARGET ORGANISM->INHIBITOR
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
METABOLITE -> PARENT
IN VITRO
METABOLITE -> PARENT
IN VITRO