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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=CC=CC=C12

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
Protoplast mutation and genome shuffling induce the endophytic fungus Tubercularia sp. TF5 to produce new compounds.
2010-10
Optimization of isochromanone based urotensin II receptor agonists.
2010-07-01
Effects of ochratoxin a on livestock production.
2010-07
Chemical, physical and biological approaches to prevent ochratoxin induced toxicoses in humans and animals.
2010-07
Molecular mechanism of ochratoxin a transport in the kidney.
2010-06
Biotransformation of bioactive (-)-mellein by a marine isolate of bacterium Stappia sp.
2010-06
Evaluation of Brazilian plants on cancer chemoprevention targets in vitro.
2010-06
An unusual thioesterase promotes isochromanone ring formation in ajudazol biosynthesis.
2010-05-17
HPLC-based activity profiling for GABA(A) receptor modulators: a new dihydroisocoumarin from Haloxylon scoparium.
2010-04-23
Ochratoxin a: general overview and actual molecular status.
2010-04
Total synthesis and cytotoxicity evaluation of all ochratoxin A stereoisomers.
2010-01-01
Comparative characterization of experimental and calculated lipophilicity and anti-tumour activity of isochromanone derivatives.
2010
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.
2009-09
(2R)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methyl-sulfan-yl)butanoic acid.
2009-07-25
(±)-trans-6,7-Dimeth-oxy-1-oxo-3-(2-thien-yl)isochroman-4-carboxylic acid.
2009-05-23
3-(1-Adamant-yl)-6-methyl-3-(3-methyl-benz-yl)isochroman-1-one.
2009-05-07
Stereoselective synthesis of novel highly substituted isochromanone and isoquinolinone-containing exocyclic tetrasubstituted alkenes.
2009-03-06
Microsphaeropsisin A, a new sesquiterpenoid isolated from the mangrove endophytic fungus (No. DZ39).
2009
Secondary metabolites of Tubercularia sp. TF5, an endophytic fungal strain of Taxus mairei.
2009
2-(2-Fluoro-benzoyl-meth-yl)benzoic acid.
2008-11-08
2-[(4-Chloro-benz-yl)carbonyl-meth-yl]benzoic acid.
2008-10-25
Original preparation of conjugates for antibody production against Amicoumacin-related anti-microbial agents.
2008-10-15
Minor compounds from the stem bark of Chinese mangrove associate Catunaregam spinosa.
2008-07
Selective inhibition of aromatase by a dihydroisocoumarin from Xyris pterygoblephara.
2008-06
Aurocitrin and related polyketide metabolites from the wood-decay fungus Hypocrea sp. BCC 14122.
2008-05
Complex etiology, prophylaxis and hygiene control in mycotoxic nephropathies in farm animals and humans.
2008-04
Dihydroisocoumarin from Xyris pterygoblephara active against dermatophyte fungi.
2008-01
Dihydroisocoumarin glucosides from stem bark of Caryocar glabrum.
2007-10
A formal synthesis of psymberin.
2007-03-15
Synthesis of psymberin analogues: probing a functional correlation with the pederin/mycalamide family of natural products.
2007-01-18
Analysis of the vibrational spectra of new OH-containing E-4-arylmethylene-3-isochromanones and 3-arylcoumarins.
2006-11-30
A new dihydroisocoumarin from the rhizomes of Notopterygium forbesii.
2006-07-20
Changes in secondary metabolism during stromatal ontogeny of Hypoxylon fragiforme.
2006-07
Conformational analysis of ochratoxin a by NMR spectroscopy and computational molecular modeling.
2005-09-08
Structure determination of salvadorin, a novel dimeric dihydroisocoumarin from Salvadora oleoides, by NMR spectroscopy.
2005-08
Bibenzyls and dihydroisocoumarins from white salsify (Tragopogon porrifolius subsp. porrifolius).
2005-07
Synthesis and antimicrobial activities of some isocoumarin and dihydroisocoumarin derivatives.
2003-06
Antimalarial dihydroisocoumarins produced by Geotrichum sp., an endophytic fungus of Crassocephalum crepidioides.
2003-05
Stereoselective synthesis of pseudopeptide microbial agent AI-77-B.
2001-08-23
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:58:50 GMT 2025
Edited
by admin
on Mon Mar 31 19:58:50 GMT 2025
Record UNII
994Y8F08R6
Record Status Validated (UNII)
Record Version
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Name Type Language
1-ISOCHROMANONE
Preferred Name English
3,4-DIHYDROISOCOUMARIN
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 Mon Mar 31 19:58:50 GMT 2025 , Edited by admin on Mon Mar 31 19:58:50 GMT 2025
PRIMARY
FDA UNII
994Y8F08R6
Created by admin on Mon Mar 31 19:58:50 GMT 2025 , Edited by admin on Mon Mar 31 19:58:50 GMT 2025
PRIMARY
CAS
4702-34-5
Created by admin on Mon Mar 31 19:58:50 GMT 2025 , Edited by admin on Mon Mar 31 19:58:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-179-4
Created by admin on Mon Mar 31 19:58:50 GMT 2025 , Edited by admin on Mon Mar 31 19:58:50 GMT 2025
PRIMARY
PUBCHEM
78429
Created by admin on Mon Mar 31 19:58:50 GMT 2025 , Edited by admin on Mon Mar 31 19:58:50 GMT 2025
PRIMARY
CHEBI
23745
Created by admin on Mon Mar 31 19:58:50 GMT 2025 , Edited by admin on Mon Mar 31 19:58:50 GMT 2025
PRIMARY