| General Information of the NP (ID: NP0844) |
| Name |
Niacin
|
| Synonyms |
nicotinic acid
niacin
59-67-6
Pyridine-3-carboxylic acid
3-pyridinecarboxylic acid
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| Species Origin |
Saccharomyces cerevisiae (Biosynth) ...
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| Saccharomyces cerevisiae (Biosynth) |
SuperKingdom: Eukaryota
Kingdom: Fungi
Phylum: Ascomycota
Class: Saccharomycetes
Order: Saccharomycetales
Family: Saccharomycetaceae
Genus: Saccharomyces
Species: Saccharomyces cerevisiae
|
| Disease |
Acute myeloid leukemia
[ICD-11: 2A60] |
Investigative |
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| Structure |
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2D MOL
3D MOL
|
| ADMET Property |
Absporption
Caco-2 Permeability
-5.133
MDCK Permeability
-4.791
Distribution
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
1.659
T1/2
1.648
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
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| Formula |
C6H5NO2
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| PubChem CID |
|
| Canonical SMILES |
C1=CC(=CN=C1)C(=O)O
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| InChI |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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| InChIKey |
PVNIIMVLHYAWGP-UHFFFAOYSA-N
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| CAS Number |
59-67-6
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| ChEBI ID |
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