Natural Product (NP) Details
| General Information of the NP (ID: NP5172) | |||||
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| Name |
Urolithin A
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| Synonyms |
urolithin A; 1143-70-0; 3,8-dihydroxy-6H-benzo[c]chromen-6-one; 3,8-dihydroxybenzo[c]chromen-6-one; 3,8-Dihydroxy-6H-dibenzo(b,d)pyran-6-one; 3,8-Dihydroxyurolithin; 6H-Dibenzo[b,d]pyran-6-one, 3,8-dihydroxy-; 3,8-Hydroxydibenzo-alpha-pyrone; ILJ8NEF6DT; UNII-ILJ8NEF6DT; 3,8-dihydroxy-6h-dibenzo[b,d]pyran-6-one; MFCD20275235; 6H-Dibenzo(b,d)pyran-6-one, 3,8-dihydroxy-; urolithin-A; 3,8-dihydroxy-urolithin; SCHEMBL803408; CHEMBL1836264; DTXSID40150694; CHEBI:168442; Urolithin A, >=97% (HPLC); EX-A4345; s5312; ZINC13484727; AKOS028108778; CCG-266776; CS-6305; DB15464; AC-31959; AK544544; DS-19328; SY070232; DB-122496; HY-100599; FT-0778244; J-003086; Q15634120; 2-Biphenylcarboxylic acid, 2',4,4'-trihydroxy-, delta-lactone
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| Species Origin | Punica granatum ... | Click to Show/Hide | |||
| Punica granatum | |||||
| Disease | Alzheimer disease [ICD-11: 8A20] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-4.987
MDCK Permeability
-4.748
PAMPA
+++
HIA
- - -
Distribution
VDss
-0.285
PPB
84.8%
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
6.848
T1/2
1.161
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 |
C13H8O4
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| PubChem CID | |||||
| Canonical SMILES |
C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O
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| InChI |
1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
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| InChIKey |
RIUPLDUFZCXCHM-UHFFFAOYSA-N
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| CAS Number |
CAS 1143-70-0
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| ChEBI ID | |||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP | ||||||
| Cisplatin | Bladder cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Decreasing Adverse Drug Reaction | 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 |
Down-regulation | Expression | CXCL2 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL23 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | TNF | Molecule Info |
Pathway MAP
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| In-vivo Model | Male mice of 6-8 weeks age with weights of 18-22 g were used in all experiments. | |||||
| Experimental
Result(s) |
Urolithin A attenuated cisplatin-induced kidney injury in mice through the down regulation of inflammatory cytokines/chemokine, immune cells, and oxidative/nitrative stress thus improving cisplatin-induced proximal tubular cell death. | |||||
