3-O-Methylgallic acid
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3-O-Methylgallic acid
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CAS No:
3934-84-7
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Formula:
C8H8O5
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Chemical Name:
3-O-Methylgallic acid
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Synonyms:
Benzoic acid,3,4-dihydroxy-5-methoxy-;Protocatechuic acid,5-methoxy-;3,4-Dihydroxy-5-methoxybenzoic acid;3-Methoxygallic acid;4,5-Dihydroxy-m-anisic acid;3-O-Methylgallic acid;4,5-Dihydroxy-3-methoxybenzoic acid;3-Methoxy-4,5-dihydroxybenzoic acid;5-Methoxygallic acid;5-Hydroxyvanillic acid;Gallic acid 3-methyl ether
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CAS No:
Description
3-O-Methylgallic acid (3,4-Dihydroxy-5-methoxybenzoic acid) is an anthocyanin metabolite and has potent antioxidant capacity. 3-O-methylgallic acid inhibits Caco-2 cell proliferation with an IC50 value of 24.1 μM. 3-O-methylgallic acid also induces cell apoptosis and has anti-cancer effects[1][2].
3-O-methylgallic acid is a member of the class of benzoic acids that is gallic acid in which the phenolic hydroxy group at position 3 is converted into the corresponding methyl ether. It is a member of catechols and a member of benzoic acids. It derives from a gallic acid. It is a conjugate acid of a 3-O-methylgallate.
Safety Information
36/37/38-36
26-36/37/39
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:184.15
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:184.03717335
Monoisotopic Mass:184.03717335
Topological Polar Surface Area:87
Heavy Atom Count:13
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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