Natural Product (NP) Details
| General Information of the NP (ID: NP2528) | |||||
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| Name |
Alpha solanine
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| Synonyms |
alpha-Solanine; 20562-02-1; alpha-Solanin; MLS000517299; MLS001074921; CHEBI:9188; MFCD00077873; SOLANINE; SMR000127418; 51938-42-2; Solanin; Prestwick3_000640; alpha-Solanine with HPLC; 1,4-butanedioldimethacrylate; BSPBio_000640; BPBio1_000704; CHEMBL1392894; BDBM89803; cid_9549171; HMS2096P22; HMS2268G17; HY-N6602; ZINC254003405; NCGC00179493-01; NCGC00179493-03; AS-74952; AB00513871; alpha-Solanine, from potato sprouts, >=95%; CS-0034333; SR-01000721955; J-013423; SR-01000721955-4; BRD-K70881766-001-02-3; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->3)]-; solanid-5-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranoside
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| Species Origin | Solanum tuberosum ... | Click to Show/Hide | |||
| Solanum tuberosum | |||||
| Disease | Liver cysts? [ICD-11: DB99] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-6.159
MDCK Permeability
-5.091
PAMPA
+++
HIA
- - -
Distribution
VDss
-0.31
PPB
63.1%
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
0.199
T1/2
2.784
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 |
C45H73NO15
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| PubChem CID | |||||
| Canonical SMILES |
CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C
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| InChI |
1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1
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| InChIKey |
ZGVSETXHNHBTRK-UDJLNJFBSA-N
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| CAS Number |
CAS 20562-02-1
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| ChEBI ID | |||||
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| SymMap ID | |||||
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| 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 | ||||||
| Cisplatin | Bladder cancer | 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 | BCL-2 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | CASP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | CASP7 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | TRAIL-R1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | TRAIL-R2 | Molecule Info |
Pathway MAP
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| Biological
Regulation |
Induction | Cell cycle arrest in G2/M phase | ||||
| In-vitro Model | Hep-G2 | CVCL_0027 | Hepatocellular carcinoma | Homo sapiens | ||
| Experimental
Result(s) |
Synergistic Effect of alpha-Solanine and Cisplatin Induces apoptosis and enhances cell cycle arrest in human hepatocellular carcinoma cells. | |||||
| 5-fluorouracil + Cisplatin | 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 | [3] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Expression | BIRC5 | Molecule Info |
Pathway MAP
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| In-vitro Model | EC9706 | CVCL_E307 | Esophageal squamous cell carcinoma | Homo sapiens | ||
| KYSE-30 | CVCL_1351 | Esophageal squamous cell carcinoma | Homo sapiens | |||
| In-vivo Model | EC9706 cells (5*106), which were labeled with firefly luciferase, were subcutaneously inoculated into the armpit of the right forelimb of 6-week-old female BALB/c nude mice. | |||||
| Experimental
Result(s) |
Alpha-solanine enhances the chemosensitivity of esophageal cancer cells by inducing microRNA 138 expression. | |||||
