1.0 2010-04-08 22:11:51 UTC 2019-11-26 03:11:36 UTC FDB015460 MS 3 Production by the mushroom Stereum hirsutum. MS 3 is found in mushrooms. 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-prenylphenyl 2,4-dihydroxy-6-methylbenzoate 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide Amsacrine Glyo-I Glyoxalase I Lactoylglutathione lyase Mamsa MS-3 (GLYOXALASE INHIBITOR) C21H24O7 388.4111 388.152203122 3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate 3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate 58265-74-0 CC(C)=CCC1=C(OC(=O)C2=C(O)C=C(O)C=C2C)C=C(CO)C(CO)=C1O 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 WTZUCTQSBSDSRG-UHFFFAOYSA-N belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Depsides and depsidones Organic compounds Phenylpropanoids and polyketides Depsides and depsidones Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aromatic alcohols Benzoyl derivatives Benzyl alcohols Carboxylic acid esters Hydrocarbon derivatives Meta cresols Monocarboxylic acids and derivatives Organic oxides Phenol esters Phenoxy compounds Primary alcohols Resorcinols Salicylic acid and derivatives Toluenes Vinylogous acids o-Hydroxybenzoic acid esters p-Hydroxybenzoic acid esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Benzyl alcohol Carboxylic acid derivative Carboxylic acid ester Depside backbone Dihydroxybenzoic acid Hydrocarbon derivative M-cresol Monocarboxylic acid or derivatives Monocyclic benzene moiety O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid ester Phenol Phenol ester Phenoxy compound Primary alcohol Resorcinol Salicylic acid or derivatives Toluene Vinylogous acid logp 2.20 ALOGPS logs -4.32 ALOGPS solubility 1.87e-02 g/l ALOGPS melting_point Mp 92° logp 4.08 ChemAxon pka_strongest_acidic 8.51 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate ChemAxon average_mass 388.4111 ChemAxon mono_mass 388.152203122 ChemAxon smiles CC(C)=CCC1=C(OC(=O)C2=C(O)C=C(O)C=C2C)C=C(CO)C(CO)=C1O ChemAxon formula C21H24O7 ChemAxon inchi 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 ChemAxon inchikey WTZUCTQSBSDSRG-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 106.72 ChemAxon polarizability 41.23 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43728 Specdb::MsMs 43729 Specdb::MsMs 43730 Specdb::MsMs 173493 Specdb::MsMs 173494 Specdb::MsMs 173495 Specdb::MsMs 2661610 Specdb::MsMs 2661611 Specdb::MsMs 2661612 Specdb::MsMs 3019923 Specdb::MsMs 3019924 Specdb::MsMs 3019925 Specdb::CMs 12375 Specdb::CMs 44902 Specdb::CMs 161224 HMDB36557 49496 #<Reference:0x000055ce334f3e48> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322