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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

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of P-glycoprotein transport function by grapefruit juice psoralen.
2001 Apr
Differential and special properties of the major human UGT1-encoded gastrointestinal UDP-glucuronosyltransferases enhance potential to control chemical uptake.
2004 Jan 9
Natural furocoumarins as inducers and inhibitors of cytochrome P450 1A1 in rat hepatocytes.
2005 Feb 15
Patents
Name Type Language
BERGAMOTTIN
MI  
Common Name English
BERGAMOTTIN [MI]
Common Name English
5-GERANOXYPSORALEN
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 Fri Dec 15 19:10:04 GMT 2023 , Edited by admin on Fri Dec 15 19:10:04 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID50897528
Created by admin on Fri Dec 15 19:10:04 GMT 2023 , Edited by admin on Fri Dec 15 19:10:04 GMT 2023
PRIMARY
WIKIPEDIA
BERGAMOTTIN
Created by admin on Fri Dec 15 19:10:04 GMT 2023 , Edited by admin on Fri Dec 15 19:10:04 GMT 2023
PRIMARY
MERCK INDEX
m2429
Created by admin on Fri Dec 15 19:10:04 GMT 2023 , Edited by admin on Fri Dec 15 19:10:04 GMT 2023
PRIMARY Merck Index
FDA UNII
JMU611YFRB
Created by admin on Fri Dec 15 19:10:04 GMT 2023 , Edited by admin on Fri Dec 15 19:10:04 GMT 2023
PRIMARY
CAS
7380-40-7
Created by admin on Fri Dec 15 19:10:04 GMT 2023 , Edited by admin on Fri Dec 15 19:10:04 GMT 2023
PRIMARY
PUBCHEM
5471349
Created by admin on Fri Dec 15 19:10:04 GMT 2023 , Edited by admin on Fri Dec 15 19:10:04 GMT 2023
PRIMARY
MESH
C068337
Created by admin on Fri Dec 15 19:10:04 GMT 2023 , Edited by admin on Fri Dec 15 19:10:04 GMT 2023
PRIMARY