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Details

Stereochemistry ACHIRAL
Molecular Formula C20H16O5
Molecular Weight 336.338
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSORALIDIN

SMILES

CC(C)=CCC1=C(O)C=C2OC(=O)C3=C(OC4=CC(O)=CC=C34)C2=C1

InChI

InChIKey=YABIJLLNNFURIJ-UHFFFAOYSA-N
InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H16O5
Molecular Weight 336.338
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:32:21 UTC 2023
Edited
by admin
on Sat Dec 16 09:32:21 UTC 2023
Record UNII
G16ZUQ069L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSORALIDIN
MI  
Common Name English
6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE, 3,9-DIHYDROXY-2-(3-METHYL-2-BUTENYL)-
Systematic Name English
PSORALIDIN [MI]
Common Name English
3-BENZOFURANCARBOXYLIC ACID, 2-(2,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)PHENYL)-6-HYDROXY-, .DELTA.-LACTONE
Systematic Name English
Code System Code Type Description
FDA UNII
G16ZUQ069L
Created by admin on Sat Dec 16 09:32:21 UTC 2023 , Edited by admin on Sat Dec 16 09:32:21 UTC 2023
PRIMARY
PUBCHEM
5281806
Created by admin on Sat Dec 16 09:32:21 UTC 2023 , Edited by admin on Sat Dec 16 09:32:21 UTC 2023
PRIMARY
CAS
18642-23-4
Created by admin on Sat Dec 16 09:32:21 UTC 2023 , Edited by admin on Sat Dec 16 09:32:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID20171903
Created by admin on Sat Dec 16 09:32:21 UTC 2023 , Edited by admin on Sat Dec 16 09:32:21 UTC 2023
PRIMARY
MERCK INDEX
m442
Created by admin on Sat Dec 16 09:32:21 UTC 2023 , Edited by admin on Sat Dec 16 09:32:21 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
Psoralidin
Created by admin on Sat Dec 16 09:32:21 UTC 2023 , Edited by admin on Sat Dec 16 09:32:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT