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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24O7
Molecular Weight 388.4111
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate

SMILES

CC(C)=CCC1=C(OC(=O)C2=C(C)C=C(O)C=C2O)C=C(CO)C(CO)=C1O

InChI

InChIKey=WTZUCTQSBSDSRG-UHFFFAOYSA-N
InChI=1S/C21H24O7/c1-11(2)4-5-15-18(7-13(9-22)16(10-23)20(15)26)28-21(27)19-12(3)6-14(24)8-17(19)25/h4,6-8,22-26H,5,9-10H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate
Systematic Name English
MS-3
Common Name English
Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methyl-2-buten-1-yl)phenyl ester
Common Name English
MS3 (enzyme inhibitor)
Common Name English
NSC-302378
Code English
(4,5-BIS(HYDROXYMETHYL)-2-(3-METHYLBUT-2-ENYL)-3-OXIDANYL-PHENYL) 2-METHYL-4,6-BIS(OXIDANYL)BENZOATE
Systematic Name English
Code System Code Type Description
NSC
302378
Created by admin on Sat Dec 16 15:30:09 GMT 2023 , Edited by admin on Sat Dec 16 15:30:09 GMT 2023
PRIMARY
CAS
58265-74-0
Created by admin on Sat Dec 16 15:30:09 GMT 2023 , Edited by admin on Sat Dec 16 15:30:09 GMT 2023
PRIMARY
FDA UNII
XSJ78ZYN5C
Created by admin on Sat Dec 16 15:30:09 GMT 2023 , Edited by admin on Sat Dec 16 15:30:09 GMT 2023
PRIMARY
PUBCHEM
100450
Created by admin on Sat Dec 16 15:30:09 GMT 2023 , Edited by admin on Sat Dec 16 15:30:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID10206995
Created by admin on Sat Dec 16 15:30:09 GMT 2023 , Edited by admin on Sat Dec 16 15:30:09 GMT 2023
PRIMARY
NIH
NCATS
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