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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18O4
Molecular Weight 298.3331
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METOCHALCONE

SMILES

COC1=CC=C(\C=C\C(=O)C2=CC=C(OC)C=C2OC)C=C1

InChI

InChIKey=HVAKUYCEWDPRCA-IZZDOVSWSA-N
InChI=1S/C18H18O4/c1-20-14-7-4-13(5-8-14)6-11-17(19)16-10-9-15(21-2)12-18(16)22-3/h4-12H,1-3H3/b11-6+

HIDE SMILES / InChI

Molecular Formula C18H18O4
Molecular Weight 298.3331
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

Metochalcone is a chalcone. It was isolated from heartwood of Pterocarpus marsupium. It has been approved for clinical use as choleretic and diuretic agent. It was made from 2,4-dihydroxybenzaldehyde (beta-resorcaldehide).

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Lesidrin

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
1754ZE4075
Record Status Validated (UNII)
Record Version