| General Information of the NP (ID: NP0861) |
| Name |
Dauricine
|
| Synonyms |
Dauricine
524-17-4
NSC 36413
UNII-8QTO90G5W5
8QTO90G5W5
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|
| Species Origin |
Menispermum dauricum ...
|
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| Menispermum dauricum |
SuperKingdom: Eukaryota
Kingdom: Viridiplantae
Phylum: Tracheophyta
Class: Magnoliopsida
Order: Ranunculales
Family: Menispermaceae
Genus: Menispermum
Species: Menispermum dauricum
|
| Disease |
Lung cancer
[ICD-11: 2C25] |
Investigative |
|
| Structure |
|
|
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2D MOL
3D MOL
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| ADMET Property |
Absporption
Caco-2 Permeability
-4.856
MDCK Permeability
-4.718
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
11.531
T1/2
2.905
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 |
C38H44N2O6
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| PubChem CID |
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| Canonical SMILES |
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC
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| InChI |
InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1
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| InChIKey |
AQASRZOCERRGBL-ROJLCIKYSA-N
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| CAS Number |
524-17-4
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| ChEBI ID |
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| TTD Drug ID |
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