MS 3 (enzyme inhibitor)

[3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate

Also Known As: amsacrine|Emulsifier OS|Glyo-I|MS 3 (enzyme inhibitor)|MS 3|mAMSA|GLYOXALASE I|Lactoylglutathione Lyase|MS-3|MS3 (enzyme inhibitor)|MS-3 (GLYOXALASE INHIBITOR)|3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate|NCI60_002553|[3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate|4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide|[3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phen|beta-Resorcylic acid, 6-methyl-, 3,4-bis(hydroxymethyl)-5-hydroxy-6-(3-methyl-2-butenyl)phenyl ester|3-Hydroxy-4,5-bis(hydroxymethyl)-2-prenylphenyl 2,4-dihydroxy-6-methylbenzoate|(4,5-BIS(HYDROXYMETHYL)-2-(3-METHYLBUT-2-ENYL)-3-OXIDANYL-PHENYL) 2-METHYL-4,6-BIS(OXIDANYL)BENZOATE|2,4-Dihydroxy-6-methylbenzoic acid 3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methyl-2-butenyl)phenyl ester, 9CI|3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl2,4-dihydroxy-6-methylbenzoate|Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methyl-2-buten-1-yl)phenyl ester

Molecular Formula	C21H24O7
Molecular Weight	388.1522 g/mol
LogP	2.82
Topological Polar Surface Area	127.45 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	388.1522
Heavy Atoms	28
Complexity	901.8

Chemical Identifiers

CAS Number	58265-74-0
SMILES	CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2)CO)CO)O)CC=C(C)C)O)O