U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14O5
Molecular Weight 286.2794
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PABULARINONE

SMILES

CC(C)C(=O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3

InChI

InChIKey=SVPDNNKLQWHTPC-UHFFFAOYSA-N
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,9H,8H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
PABULARINONE
Common Name English
ISOHERACLENIN
Common Name English
5-BENZOFURANACRYLIC ACID, 6-HYDROXY-7-(3-METHYL-2-OXOBUTOXY)-, .DELTA.-LACTONE
Systematic Name English
IMPERATORIN OXIDE
Common Name English
9-(3-METHYL-2-OXOBUTOXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
Systematic Name English
ISOOXYIMPERATORIN
Common Name English
Code System Code Type Description
PUBCHEM
14521099
Created by admin on Sat Dec 16 12:18:52 GMT 2023 , Edited by admin on Sat Dec 16 12:18:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID30365831
Created by admin on Sat Dec 16 12:18:52 GMT 2023 , Edited by admin on Sat Dec 16 12:18:52 GMT 2023
PRIMARY
CAS
4889-31-0
Created by admin on Sat Dec 16 12:18:52 GMT 2023 , Edited by admin on Sat Dec 16 12:18:52 GMT 2023
PRIMARY
FDA UNII
A6C71BMQ2P
Created by admin on Sat Dec 16 12:18:52 GMT 2023 , Edited by admin on Sat Dec 16 12:18:52 GMT 2023
PRIMARY