Natural Product (NP) Details
| General Information of the NP (ID: NP0790) | |||||
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| Name |
Saikosaponin D
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| Synonyms |
Saikosaponin D; UNII-UR635J3F00; UR635J3F00; Saikosaponins; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; Saikosaponin D from Bupleurum falcatnum; SCHEMBL929710; CHEMBL3613719; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[hydroxy-(hydroxymethyl)-hexamethyl-[?]yl]oxy-6-methyl-tetrahydropyran-4-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; HY-N0250; MFCD09028095; s5454; AKOS016034270; ZINC247647500; CCG-270465; CS-0008281; N1887; Q-100262; Q27291219; beta-D-Galactopyranoside, (3beta,4alpha,16alpha)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl
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| Species Origin | Bupleurum scorzonerifolium ... | Click to Show/Hide | |||
| Bupleurum scorzonerifolium | |||||
| Disease | Lung cancer [ICD-11: 2C25] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| Formula |
C42H68O13
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| PubChem CID | |||||
| Canonical SMILES |
CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O
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| InChI |
1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1
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| InChIKey |
KYWSCMDFVARMPN-LCSVLAELSA-N
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| CAS Number |
CAS 20874-52-6
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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 | ||||||
| SP600125 | Chronic kidney disease | 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 | Phosphorylation | AKT1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | BAX | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP3 | Molecule Info |
Pathway MAP
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| In-vitro Model | U2OS | CVCL_0042 | Osteosarcoma | Homo sapiens | ||
| Experimental
Result(s) |
A dramatic inhibition of cellular proliferation, invasion, and migration in cells treated with Ssd alone or in combination with SP600125 was observed. | |||||
| Target and Pathway | ||||
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| Target(s) | Gamma-aminobutyric acid receptor gamma-1 (RAB5A) | Molecule Info | [3] | |
