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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H18O7
Molecular Weight 346.3313
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-O-METHYLSULOCHRIN

SMILES

COC(=O)C1=CC(OC)=CC(OC)=C1C(=O)C2=C(O)C=C(C)C=C2O

InChI

InChIKey=YLCJNMGKCHGJRF-UHFFFAOYSA-N
InChI=1S/C18H18O7/c1-9-5-12(19)16(13(20)6-9)17(21)15-11(18(22)25-4)7-10(23-2)8-14(15)24-3/h5-8,19-20H,1-4H3

HIDE SMILES / InChI

Molecular Formula C18H18O7
Molecular Weight 346.3313
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
Target ID: Q14520
Gene ID: 3026.0
Gene Symbol: HABP2
Target Organism: Homo sapiens (Human)
16.0 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:20:04 GMT 2023
Edited
by admin
on Sat Dec 16 10:20:04 GMT 2023
Record UNII
42AGT8ZR2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-O-METHYLSULOCHRIN
Common Name English
METHYL 2-(2,6-DIHYDROXY-4-METHYLBENZOYL)-3,5-DIMETHOXYBENZOATE
Systematic Name English
BENZOIC ACID, 2-(2,6-DIHYDROXY-4-METHYLBENZOYL)-3,5-DIMETHOXY-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
42AGT8ZR2P
Created by admin on Sat Dec 16 10:20:04 GMT 2023 , Edited by admin on Sat Dec 16 10:20:04 GMT 2023
PRIMARY
PUBCHEM
23983701
Created by admin on Sat Dec 16 10:20:04 GMT 2023 , Edited by admin on Sat Dec 16 10:20:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID801018082
Created by admin on Sat Dec 16 10:20:04 GMT 2023 , Edited by admin on Sat Dec 16 10:20:04 GMT 2023
PRIMARY
CAS
77282-69-0
Created by admin on Sat Dec 16 10:20:04 GMT 2023 , Edited by admin on Sat Dec 16 10:20:04 GMT 2023
PRIMARY