Natural Product (NP) Details
| General Information of the NP (ID: NP1596) | |||||
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| Name |
Alpinumisoflavone
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| Synonyms |
Alpinumisoflavone; 34086-50-5; Alpinum Isoflavone; UNII-6Q33HOF94Z; 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one; 6Q33HOF94Z; CHEMBL238628; CHEBI:69746; SCHEMBL571695; DTXSID00187683; BDBM50200542; LMPK12050202; NSC775898; ZINC14417338; AKOS032962128; NSC-775898; W1705; Q4735614; 2H,6H-Benzodipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-; 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-pyrano[3,2-g]chromen-6-one; 5-Hydroxy-7-(p-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzodipyran-6-one; 5-hydroxy-3-(4-hydroxy-phenyl)-8,8-dimethyl-8H-pyrano[3,2-g]chromen-4-one; 5-hydroxy-7-(4-hydroxyphenyl)-2,2- dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-2h,6h-benzo[1,2-b:5,4-b']dipyran-6-one; 5-Hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one
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| Species Origin | Erythrina lysistemon ... | Click to Show/Hide | |||
| Erythrina lysistemon | |||||
| Disease | Hepatocellular carcinoma [ICD-11: 2C12] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-4.96
MDCK Permeability
-4.742
PAMPA
+++
HIA
- - -
Distribution
VDss
-0.068
PPB
97.4%
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
6.01
T1/2
0.875
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 |
C20H16O5
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| PubChem CID | |||||
| Canonical SMILES |
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C
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| InChI |
1S/C20H16O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3
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| InChIKey |
RQAMSFTXEFSBPK-UHFFFAOYSA-N
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| CAS Number |
CAS 34086-50-5
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| ChEBI ID | |||||
| Herb 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 | ||||||
| X-ray irradiation | Scaphoid Fracture | 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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| Molecule(s)
Regulation |
Down-regulation | Expression | GABPA | Molecule Info | ||
| Down-regulation | Expression | HMOX1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | NQO1 | Molecule Info |
Pathway MAP
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| In-vitro Model | Eca-109 | CVCL_6898 | Esophageal squamous cell carcinoma | Homo sapiens | ||
| KYSE-30 | CVCL_1351 | Esophageal squamous cell carcinoma | Homo sapiens | |||
| In-vivo Model | Approximately 1*106 Eca109 cells were suspended in 0.1 ml PBS and subcutaneously injected into the right leg of male BALB/c nude mice (5-week old). | |||||
| Experimental
Result(s) |
AIF functions as a potent radiosensitizer in human ESCC. | |||||
