Natural Product (NP) Details
| General Information of the NP (ID: NP4353) | |||||
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| Name |
Gamabufotalin
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| Synonyms |
Gamabufotalin; 465-11-2; Gamabufogenin; Gamabufagin; Gammabufotalin; UNII-5HH3KM165O; 5HH3KM165O; CHEBI:80826; 5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; Gamabufalin; NSC 90384; SCHEMBL866038; CHEMBL465318; DTXSID40878664; 3-beta,11-alpha,14-Trihydroxy-5-beta-bufa-20,22-dienolide; HY-N0883; NSC90384; ZINC4916495; 3689AH; MFCD01740822; NSC-90384; AKOS030526148; CS-3701; NCGC00485918-01; C16962; 465G112; A827057; Q-100490; Q27149869; 5.beta.-Bufa-20, 3.beta.,11.alpha.,14-trihydroxy-; 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,11-alpha,14-TRIHYDROXY-; 5beta-Bufa-20,22-dienolide, 3beta,11alpha,14-trihydroxy- (8CI); Bufa-20, 3,11,14-trihydroxy-, (3.beta.,5.beta.,11.alpha.)-; Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3-beta,5-beta,11-alpha)- (9CI); 5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-10,13-dimethyl-3,11,14-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; 5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
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| Species Origin | Andrias davidianus ... | Click to Show/Hide | |||
| Andrias davidianus | |||||
| Disease | Osteosarcoma [ICD-11: 2B51] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C24H34O5
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| PubChem CID | |||||
| Canonical SMILES |
CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O
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| InChI |
1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19-,21-,22+,23-,24+/m1/s1
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| InChIKey |
FMTLOAVOGWSPEF-KJRPADTMSA-N
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| CAS Number |
CAS 465-11-2
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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 | ||||||
| Arsenite | Prostate 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
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| Molecule(s)
Regulation |
Down-regulation | Expression | BIRC5 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | CCNB1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | MAP1LC3A | Molecule Info |
Pathway MAP
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| Up-regulation | Phosphorylation | p38 beta | Molecule Info |
Pathway MAP
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| In-vitro Model | U-87MG ATCC | CVCL_0022 | Glioblastoma | Homo sapiens | ||
| U-251MG | CVCL_0021 | Astrocytoma | Homo sapiens | |||
| Experimental
Result(s) |
G2/M arrest, necrosis and autophagy appeared to cooperatively contribute to the synergistic cytotoxicity of AsIII and gamabufotalin. | |||||
| Target and Pathway | ||||
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| Target(s) | Aquaporin-4 (AQP4) | Molecule Info | [3] | |
| Sodium pump subunit alpha-3 (ATP1A3) | Molecule Info | [3] | ||
