General Information of the Compound
| Compound ID |
CP0033901
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| Compound Name |
3,4,5-Trihydroxybenzoate, X
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| Synonyms |
149-91-7
3,4,5-Trihydroxybenzoate
3,4,5-Trihydroxybenzoic acid
632XD903SP
AI3-16412
BRN 2050274
Benzoic acid, 3,4,5-trihydroxy-
CCRIS 5523
CHEBI:30778
CHEMBL288114
EINECS 205-749-9
GALLIC ACID ANHYDROUS
GALLICACID
GALOP
Gallic acid
Gallic acid polymer
Gallic acid, techGallicum acidum
HSDB 2117
Kyselina 3,4,5-trihydroxybenzoova
Kyselina 3,4,5-trihydroxybenzoova [Czech]
Kyselina gallova
Kyselina gallova [Czech]
LNTHITQWFMADLM-UHFFFAOYSA-N
NSC 20103
NSC 674319
Pyrogallol-5-carboxylic acid
UNII-632XD903SP
gallate
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| Structure |
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| Formula |
C7H6O5
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| Molecular Weight |
170.12
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| Canonical SMILES |
OC(=O)c1cc(O)c(O)c(O)c1
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| InChI |
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
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| InChIKey |
LNTHITQWFMADLM-UHFFFAOYSA-N
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| CAS |
149-91-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01718, Nitric oxide synthase, inducible
Protein ID: PT04812, Polypeptide N-acetylgalactosaminyltransferase 2
Protein ID: PT03141, Toll-like receptor 2
Clinical Information about the Compound
Drug 1 ( GALLICACID )
| Drug Name | GALLICACID | ||
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