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Details

Stereochemistry ACHIRAL
Molecular Formula C11H6O4
Molecular Weight 202.1629
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERGAPTOL

SMILES

OC1=C2C=COC2=CC3=C1C=CC(=O)O3

InChI

InChIKey=GIJHDGJRTUSBJR-UHFFFAOYSA-N
InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H

HIDE SMILES / InChI

Molecular Formula C11H6O4
Molecular Weight 202.1629
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
[Comprehensive determination of furanocoumarin derivatives in citrus juice by high performance liquid chromatography].
2005 Nov
The use of heat treatment to eliminate drug interactions due to grapefruit juice.
2006 Nov
[A new coumarin glycoside from Glehnia littoralis].
2007 Oct
White and colored grapefruit juice produce similar pharmacokinetic interactions.
2008 Aug
Notopterygium forbesii boiss extract and its active constituents increase reactive species and heme oxygenase-1 in human fetal hepatocytes: mechanisms of action.
2008 Dec
[Studies on chemical constituents in roots and rhizomes of Notopterygium incisum].
2008 Dec
Aspergillus niger metabolism of citrus furanocoumarin inhibitors of human cytochrome P450 3A4.
2008 Feb
Notopterygium forbesii Boiss extract and its active constituent phenethyl ferulate attenuate pro-inflammatory responses to lipopolysaccharide in RAW 264.7 macrophages. A "protective" role for oxidative stress?
2009 Aug
Differentiation of four pairs of furocoumarin isomers by electrospray ionization tandem mass spectrometry.
2010
Coumarins from Seseli hartvigii.
2010 Jul
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:54:18 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:18 GMT 2023
Record UNII
KTC8ANI30F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERGAPTOL
Common Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-HYDROXY-
Systematic Name English
5-HYDROXYPSORALEN
Common Name English
NSC-341958
Code English
4-HYDROXYBERGAPTEN
Common Name English
Code System Code Type Description
PUBCHEM
5280371
Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023
PRIMARY
NSC
341958
Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023
PRIMARY
FDA UNII
KTC8ANI30F
Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID40197564
Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023
PRIMARY
CHEBI
17377
Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023
PRIMARY
CAS
486-60-2
Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023
PRIMARY
WIKIPEDIA
BERGAPTOL
Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023
PRIMARY
CHEBI
77728
Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023
PRIMARY