Natural Product (NP) Details
| General Information of the NP (ID: NP5538) | |||||
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| Name |
Gallic acid
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| Synonyms |
3,4,5-Trihydroxybenzoic acid; 149-91-7; gallate; Benzoic acid, 3,4,5-trihydroxy-; Gallic acid, tech.; GALOP; Pyrogallol-5-carboxylic acid; Kyselina gallova; HSDB 2117; 3,4,5-Trihydroxybenzoate; CCRIS 5523; Kyselina gallova [Czech]; Gallic acid polymer; UNII-632XD903SP; NSC 674319; Gallicum acidum; CHEBI:30778; AI3-16412; Kyselina 3,4,5-trihydroxybenzoova; EINECS 205-749-9; NSC 20103; BRN 2050274; GALLIC ACID ANHYDROUS; Kyselina 3,4,5-trihydroxybenzoova [Czech]; CHEMBL288114; LNTHITQWFMADLM-UHFFFAOYSA-N; 632XD903SP
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| Species Origin | Equisetum arvense ... | Click to Show/Hide | |||
| Equisetum arvense | |||||
| Abrus precatorius | |||||
| Euonymus maackii | |||||
| Camptotheca acuminata | |||||
| Mangifera indica | |||||
| Bombax ceiba | |||||
| Acer truncatum | |||||
| Castanea mollissima | |||||
| Loropetalum chinense | |||||
| Bixa orellana | |||||
| Rosa chinensis | |||||
| Tussilago farfara | |||||
| Psidium guajava | |||||
| Sanguisorba officinalis | |||||
| Epilobium hirsutum | |||||
| Syzygium nervosum | |||||
| Bauhinia championii | |||||
| Rhodiola crenulata | |||||
| Toxicodendron succedaneum | |||||
| Rhus chinensis | |||||
| Phyllanthus urinaria | |||||
| Abutilon indicum | |||||
| Toona sinensis | |||||
| Persicaria capitata | |||||
| Pyrola calliantha | |||||
| Potentilla discolor | |||||
| Ampelopsis japonica | |||||
| Acalypha australis | |||||
| Ampelopsis sinica | |||||
| Disease | Gout [ICD-11: FA25] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-5.604
MDCK Permeability
-4.808
PAMPA
+++
HIA
- - -
Distribution
VDss
-0.523
PPB
37.6%
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
5.406
T1/2
2.2
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 |
C7H6O5
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| PubChem CID | |||||
| Canonical SMILES |
C1=C(C=C(C(=C1O)O)O)C(=O)O
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| 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 Number |
CAS 149-91-7
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| Herb ID | |||||
| TTD Drug ID | |||||
| 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 | ||||||
| Cisplatin | Bladder cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Augmenting Drug Sensitivity | 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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| Molecule(s)
Regulation |
Up-regulation | Expression | BAX | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | JAK-1 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | STAT3 | Molecule Info |
Pathway MAP
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| In-vitro Model | A-549 | CVCL_0023 | Lung adenocarcinoma | Homo sapiens | ||
| Experimental
Result(s) |
Gallic acid has anticancer activity and enhances the anticancer effects of cisplatin in non small cell lung cancer A549 cells via the JAK/STAT3 signaling pathway. | |||||
| Target and Pathway | ||||
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| Target(s) | Carbonic anhydrase (CA) | Molecule Info | [3] | |
| P-selectin (SELP) | Molecule Info | [4] | ||
| STAT factor 3 (STAT3) | Molecule Info | |||
| KEGG Pathway | Cell adhesion molecules (CAMs) | Click to Show/Hide | ||
| 2 | Malaria | |||
| 3 | Staphylococcus aureus infection | |||
| Pathway Interaction Database | IL4-mediated signaling events | Click to Show/Hide | ||
| 2 | amb2 Integrin signaling | |||
| Reactome | Platelet degranulation | Click to Show/Hide | ||
| 2 | Cell surface interactions at the vascular wall | |||
| WikiPathways | Human Complement System | Click to Show/Hide | ||
| 2 | Spinal Cord Injury | |||
| 3 | Cell surface interactions at the vascular wall | |||
