| General Information of the NP (ID: NP0864) |
| Name |
Pomiferin
|
| Synonyms |
pomiferin
572-03-2
UNII-74YIS40APM
NSC-5113
74YIS40APM
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|
| Species Origin |
Maclura pomifera ...
|
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|
| Maclura pomifera |
SuperKingdom: Eukaryota
Kingdom: Viridiplantae
Phylum: Tracheophyta
Class: Magnoliopsida
Order: Rosales
Family: Moraceae
Genus: Maclura
Species: Maclura pomifera
|
| Disease |
Hepatocellular carcinoma
[ICD-11: 2C12] |
Investigative |
|
| Structure |
|
|
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2D MOL
3D MOL
|
| ADMET Property |
Absporption
Caco-2 Permeability
-4.984
MDCK Permeability
-4.711
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
9.516
T1/2
1.322
Toxicity
DILI
++
Rat Oral Acute Toxicity
++
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 |
C25H24O6
|
| PubChem CID |
|
| Canonical SMILES |
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C
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| InChI |
InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3
|
| InChIKey |
GHCZYXUOYFOXIP-UHFFFAOYSA-N
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| CAS Number |
572-03-2
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| ChEBI ID |
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