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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H10O5
Molecular Weight 246.2155
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KHELLINOL

SMILES

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

InChI

InChIKey=GEYVZPGXYUDRSN-UHFFFAOYSA-N
InChI=1S/C13H10O5/c1-6-5-8(14)9-10(15)7-3-4-17-11(7)13(16-2)12(9)18-6/h3-5,15H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
KHELLINOL
Common Name English
5H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE, 4-HYDROXY-9-METHOXY-7-METHYL-
Systematic Name English
5-NORKHELLIN
Common Name English
4-HYDROXY-9-METHOXY-7-METHYL-5H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE
Systematic Name English
Code System Code Type Description
CAS
478-42-2
Created by admin on Sat Dec 16 15:01:19 GMT 2023 , Edited by admin on Sat Dec 16 15:01:19 GMT 2023
PRIMARY
PUBCHEM
10167
Created by admin on Sat Dec 16 15:01:19 GMT 2023 , Edited by admin on Sat Dec 16 15:01:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID00197282
Created by admin on Sat Dec 16 15:01:19 GMT 2023 , Edited by admin on Sat Dec 16 15:01:19 GMT 2023
PRIMARY
FDA UNII
8K4BOY0913
Created by admin on Sat Dec 16 15:01:19 GMT 2023 , Edited by admin on Sat Dec 16 15:01:19 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of KHELLINOL
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966