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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10O5
Molecular Weight 234.2048
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CARBETHOXYUMBELIFERONE

SMILES

CCOC(=O)C1=CC2=CC=C(O)C=C2OC1=O

InChI

InChIKey=IETDBZQIWIJQJG-UHFFFAOYSA-N
InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H10O5
Molecular Weight 234.2048
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
7.4 µM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:56:40 GMT 2023
Edited
by admin
on Sat Dec 16 17:56:40 GMT 2023
Record UNII
X538NC636R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CARBETHOXYUMBELIFERONE
Common Name English
7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER
Systematic Name English
ETHYL 7-HYDROXY-2-OXOCHROMENE-3-CARBOXYLATE
Systematic Name English
7-HYDROXY-3-CARBETHOXYCOUMARIN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30209761
Created by admin on Sat Dec 16 17:56:40 GMT 2023 , Edited by admin on Sat Dec 16 17:56:40 GMT 2023
PRIMARY
CAS
6093-71-6
Created by admin on Sat Dec 16 17:56:40 GMT 2023 , Edited by admin on Sat Dec 16 17:56:40 GMT 2023
PRIMARY
DRUG BANK
DB02728
Created by admin on Sat Dec 16 17:56:40 GMT 2023 , Edited by admin on Sat Dec 16 17:56:40 GMT 2023
PRIMARY
FDA UNII
X538NC636R
Created by admin on Sat Dec 16 17:56:40 GMT 2023 , Edited by admin on Sat Dec 16 17:56:40 GMT 2023
PRIMARY
PUBCHEM
5289613
Created by admin on Sat Dec 16 17:56:40 GMT 2023 , Edited by admin on Sat Dec 16 17:56:40 GMT 2023
PRIMARY