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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H12O4
Molecular Weight 232.232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALOESONE

SMILES

CC(=O)CC1=CC(=O)C2=C(O1)C=C(O)C=C2C

InChI

InChIKey=JHELBXAAAYUKCT-UHFFFAOYSA-N
InChI=1S/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Name Type Language
ALOESONE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-HYDROXY-5-METHYL-2-(2-OXOPROPYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20193721
Created by admin on Fri Dec 15 20:13:28 GMT 2023 , Edited by admin on Fri Dec 15 20:13:28 GMT 2023
PRIMARY
FDA UNII
5O7KO4M2YY
Created by admin on Fri Dec 15 20:13:28 GMT 2023 , Edited by admin on Fri Dec 15 20:13:28 GMT 2023
PRIMARY
PUBCHEM
5317700
Created by admin on Fri Dec 15 20:13:28 GMT 2023 , Edited by admin on Fri Dec 15 20:13:28 GMT 2023
PRIMARY
CAS
40738-40-7
Created by admin on Fri Dec 15 20:13:28 GMT 2023 , Edited by admin on Fri Dec 15 20:13:28 GMT 2023
PRIMARY