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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O2
Molecular Weight 148.1586
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDROISOCOUMARIN

SMILES

O=C1OCCC2=C1C=CC=C2

InChI

InChIKey=XVTAQSGZOGYIEY-UHFFFAOYSA-N
InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and antimicrobial activities of some isocoumarin and dihydroisocoumarin derivatives.
2003 Jun
Conformational analysis of ochratoxin a by NMR spectroscopy and computational molecular modeling.
2005 Sep 8
Changes in secondary metabolism during stromatal ontogeny of Hypoxylon fragiforme.
2006 Jul
Dihydroisocoumarin glucosides from stem bark of Caryocar glabrum.
2007 Oct
Microsphaeropsisin A, a new sesquiterpenoid isolated from the mangrove endophytic fungus (No. DZ39).
2009
(2R)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methyl-sulfan-yl)butanoic acid.
2009 Jul 25
(±)-trans-6,7-Dimeth-oxy-1-oxo-3-(2-thien-yl)isochroman-4-carboxylic acid.
2009 May 23
3-(1-Adamant-yl)-6-methyl-3-(3-methyl-benz-yl)isochroman-1-one.
2009 May 7
Synthesis and in vitro and in vivo evaluation of a series of dihydroisocoumarin derivatives conjugated with fatty acids, alcohols, and amines as potential anticancer agents.
2009 Sep
Ochratoxin a: general overview and actual molecular status.
2010 Apr
Effects of ochratoxin a on livestock production.
2010 Jul
Chemical, physical and biological approaches to prevent ochratoxin induced toxicoses in humans and animals.
2010 Jul
Molecular mechanism of ochratoxin a transport in the kidney.
2010 Jun
An unusual thioesterase promotes isochromanone ring formation in ajudazol biosynthesis.
2010 May 17
Name Type Language
3,4-DIHYDROISOCOUMARIN
Systematic Name English
1-ISOCHROMANONE
Systematic Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-
Systematic Name English
ISOCOUMARIN, 3,4-DIHYDRO-
Systematic Name English
3,4-DIHYDRO-1H-2-BENZOPYRAN-1-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60197006
Created by admin on Fri Dec 15 19:51:05 GMT 2023 , Edited by admin on Fri Dec 15 19:51:05 GMT 2023
PRIMARY
FDA UNII
994Y8F08R6
Created by admin on Fri Dec 15 19:51:05 GMT 2023 , Edited by admin on Fri Dec 15 19:51:05 GMT 2023
PRIMARY
CAS
4702-34-5
Created by admin on Fri Dec 15 19:51:05 GMT 2023 , Edited by admin on Fri Dec 15 19:51:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-179-4
Created by admin on Fri Dec 15 19:51:05 GMT 2023 , Edited by admin on Fri Dec 15 19:51:05 GMT 2023
PRIMARY
PUBCHEM
78429
Created by admin on Fri Dec 15 19:51:05 GMT 2023 , Edited by admin on Fri Dec 15 19:51:05 GMT 2023
PRIMARY
CHEBI
23745
Created by admin on Fri Dec 15 19:51:05 GMT 2023 , Edited by admin on Fri Dec 15 19:51:05 GMT 2023
PRIMARY