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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

Molecular Formula C9H8O2
Molecular Weight 148.1586
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Stereoselective synthesis of pseudopeptide microbial agent AI-77-B.
2001 Aug 23
Antimalarial dihydroisocoumarins produced by Geotrichum sp., an endophytic fungus of Crassocephalum crepidioides.
2003 May
Structure determination of salvadorin, a novel dimeric dihydroisocoumarin from Salvadora oleoides, by NMR spectroscopy.
2005 Aug
Bibenzyls and dihydroisocoumarins from white salsify (Tragopogon porrifolius subsp. porrifolius).
2005 Jul
Changes in secondary metabolism during stromatal ontogeny of Hypoxylon fragiforme.
2006 Jul
A new dihydroisocoumarin from the rhizomes of Notopterygium forbesii.
2006 Jul 20
Analysis of the vibrational spectra of new OH-containing E-4-arylmethylene-3-isochromanones and 3-arylcoumarins.
2006 Nov 30
Dihydroisocoumarin glucosides from stem bark of Caryocar glabrum.
2007 Oct
Complex etiology, prophylaxis and hygiene control in mycotoxic nephropathies in farm animals and humans.
2008 Apr
Dihydroisocoumarin from Xyris pterygoblephara active against dermatophyte fungi.
2008 Jan
Selective inhibition of aromatase by a dihydroisocoumarin from Xyris pterygoblephara.
2008 Jun
Aurocitrin and related polyketide metabolites from the wood-decay fungus Hypocrea sp. BCC 14122.
2008 May
2-(2-Fluoro-benzoyl-meth-yl)benzoic acid.
2008 Nov 8
Original preparation of conjugates for antibody production against Amicoumacin-related anti-microbial agents.
2008 Oct 15
2-[(4-Chloro-benz-yl)carbonyl-meth-yl]benzoic acid.
2008 Oct 25
Secondary metabolites of Tubercularia sp. TF5, an endophytic fungal strain of Taxus mairei.
2009
(2R)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methyl-sulfan-yl)butanoic acid.
2009 Jul 25
Stereoselective synthesis of novel highly substituted isochromanone and isoquinolinone-containing exocyclic tetrasubstituted alkenes.
2009 Mar 6
(±)-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
Optimization of isochromanone based urotensin II receptor agonists.
2010 Jul 1
Molecular mechanism of ochratoxin a transport in the kidney.
2010 Jun
Biotransformation of bioactive (-)-mellein by a marine isolate of bacterium Stappia sp.
2010 Jun
An unusual thioesterase promotes isochromanone ring formation in ajudazol biosynthesis.
2010 May 17
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:05 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:05 GMT 2023
Record UNII
994Y8F08R6
Record Status Validated (UNII)
Record Version
  • Download
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
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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
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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