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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22O4
Molecular Weight 338.397
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BERGAMOTTIN

SMILES

CC(C)=CCC\C(C)=C\COC1=C2C=COC2=CC3=C1C=CC(=O)O3

InChI

InChIKey=DBMJZOMNXBSRED-OQLLNIDSSA-N
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+

HIDE SMILES / InChI

Molecular Formula C21H22O4
Molecular Weight 338.397
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Use of comprehensive screening methods to detect selective human CAR activators.
2011-12-15
In vitro interactions with repeated grapefruit juice administration--to peel or not to peel?
2009-03
Effects of naturally occurring coumarins on hepatic drug-metabolizing enzymes in mice.
2008-10-15
Suppressive Effects of Selected Food Phytochemicals on CD74 Expression in NCI-N87 Gastric Carcinoma Cells.
2008-09
Automated screening with confirmation of mechanism-based inactivation of CYP3A4, CYP2C9, CYP2C19, CYP2D6, and CYP1A2 in pooled human liver microsomes.
2005-08
The naturally occurring cytochrome P450 (P450) 2B6 K262R mutant of P450 2B6 exhibits alterations in substrate metabolism and inactivation.
2005-06
Coumarins are competitive inhibitors of cytochrome P450 1B1, with equal potency for allelic variants.
2005-03
Natural furocoumarins as inducers and inhibitors of cytochrome P450 1A1 in rat hepatocytes.
2005-02-15
Differential and special properties of the major human UGT1-encoded gastrointestinal UDP-glucuronosyltransferases enhance potential to control chemical uptake.
2004-01-09
Inhibition of P-glycoprotein transport function by grapefruit juice psoralen.
2001-04
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:34:04 GMT 2025
Edited
by admin
on Mon Mar 31 19:34:04 GMT 2025
Record UNII
JMU611YFRB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-GERANOXYPSORALEN
Preferred Name English
BERGAMOTTIN
MI  
Common Name English
BERGAMOTTIN [MI]
Common Name English
BERGAPTIN
Common Name English
BERGAMOTINE
Common Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-(((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)OXY)-
Systematic Name English
Classification Tree Code System Code
DSLD 4234 (Number of products:3)
Created by admin on Mon Mar 31 19:34:04 GMT 2025 , Edited by admin on Mon Mar 31 19:34:04 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID50897528
Created by admin on Mon Mar 31 19:34:04 GMT 2025 , Edited by admin on Mon Mar 31 19:34:04 GMT 2025
PRIMARY
WIKIPEDIA
BERGAMOTTIN
Created by admin on Mon Mar 31 19:34:04 GMT 2025 , Edited by admin on Mon Mar 31 19:34:04 GMT 2025
PRIMARY
MERCK INDEX
m2429
Created by admin on Mon Mar 31 19:34:04 GMT 2025 , Edited by admin on Mon Mar 31 19:34:04 GMT 2025
PRIMARY Merck Index
FDA UNII
JMU611YFRB
Created by admin on Mon Mar 31 19:34:04 GMT 2025 , Edited by admin on Mon Mar 31 19:34:04 GMT 2025
PRIMARY
CAS
7380-40-7
Created by admin on Mon Mar 31 19:34:04 GMT 2025 , Edited by admin on Mon Mar 31 19:34:04 GMT 2025
PRIMARY
PUBCHEM
5471349
Created by admin on Mon Mar 31 19:34:04 GMT 2025 , Edited by admin on Mon Mar 31 19:34:04 GMT 2025
PRIMARY
MESH
C068337
Created by admin on Mon Mar 31 19:34:04 GMT 2025 , Edited by admin on Mon Mar 31 19:34:04 GMT 2025
PRIMARY
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