Natural Product (NP) Details
| General Information of the NP (ID: NP4688) | |||||
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| Name |
Methyl gallate
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| Synonyms |
METHYL GALLATE; Methyl 3,4,5-trihydroxybenzoate; 99-24-1; Gallic acid methyl ester; Methylgallate; Benzoic acid, 3,4,5-trihydroxy-, methyl ester; Gallic acid, methyl ester; methyl galloate; MFCD00002194; UNII-623D3XG80C; 3,4,5-Trihydroxybenzoic acid methyl ester; AI3-00861; 3,4,5-Trihydroxy-benzoic acid methyl ester; CHEMBL65675; 623D3XG80C; NSC363001; Methyl 3,4,5-trihydroxybenzoate, 99%; GALLINCIN; CCRIS 5567; EINECS 202-741-7; NSC 363001; BRN 2113180; Methyl gallate;; methyl-3,4,5-trihydroxybenzoate; Gallic acid methyl; ACMC-209sc1; cid_7428; SCHEMBL39513; 4-10-00-01998 (Beilstein Handbook Reference); MLS000574912; DTXSID3059189; ZINC21789; CHEBI:145828; HMS2210A23; HMS3346G16; ACT10740; HY-N2010; ANW-40991; BBL010505; BDBM50187133; CM0133; s3790; SBB064246; STL146151; methyl 3,4,5-tris(oxidanyl)benzoate; AKOS000277450; CCG-266463; EBD1614516; MCULE-4626719858; NSC-363001; Methyl 3,4,5-trihydroxybenzoate, 98%; NCGC00247606-01; AC-11364; AK-94175; AS-14808; M666; SMR000156263; SY011144; AB0007856; DB-057768; CS-0018330; FT-0626596; G0017; H6235; ST50825211; A845986; CS-008/03903045; W-100047; Q15425833
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| Species Origin | Givotia rottleriformis ... | Click to Show/Hide | |||
| Givotia rottleriformis | |||||
| Disease | Brain cancer [ICD-11: 2A00] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-5.433
MDCK Permeability
-4.831
PAMPA
-
HIA
- - -
Distribution
VDss
-0.432
PPB
60%
BBB
- - -
Metabolism
CYP1A2 inhibitor
+
CYP1A2 substrate
- - -
CYP2C19 inhibitor
- -
CYP2C19 substrate
- - -
CYP2C9 inhibitor
++
CYP2C9 substrate
- -
CYP2D6 inhibitor
- - -
CYP2D6 substrate
- -
CYP3A4 inhibitor
+++
CYP3A4 substrate
- - -
CYP2B6 inhibitor
- - -
CYP2B6 substrate
- - -
CYP2C8 inhibitor
+++
HLM Stability
+++
Excretion
CLplasma
12.694
T1/2
1.603
Toxicity
DILI
+
Rat Oral Acute Toxicity
- -
FDAMDD
-
Respiratory
- -
Human Hepatotoxicity
- -
Ototoxicity
+
Drug-induced Nephrotoxicity
- - -
Drug-induced Neurotoxicity
- - -
Hematotoxicity
- - -
Genotoxicity
+
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C8H8O5
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| PubChem CID | |||||
| Canonical SMILES |
COC(=O)C1=CC(=C(C(=C1)O)O)O
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| InChI |
1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
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| InChIKey |
FBSFWRHWHYMIOG-UHFFFAOYSA-N
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| CAS Number |
CAS 99-24-1
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| ChEBI ID | |||||
| Herb ID | |||||
| SymMap ID | |||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Marbofloxacin | Chronic obstructive pulmonary disease | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| In-vivo Model | Salmonella Typhimurium in rats were used in this study. | |||||
| Experimental
Result(s) |
MG has shown to increase the antimicrobial activity of MAR in vitro and ex vivo experiments without affecting the pharmacokinetics of MAR in rats. | |||||
