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  1. General Info
  2. Source Info
  3. Effects Info
  4. Reference
Phytochemical Details
01. General Information
Name Gedunin
PubChem CID 12004512
Molecular Weight 482.6g/mol
Synonyms

gedunin

Formula C₂₈H₃₄O₇
SMILES CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C
InChI 1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20-,21+,22-,25-,26+,27+,28-/m1/s1
InChIKey YJXDGWUNRYLINJ-BHAPSIHVSA-N
CAS Number 2753-30-2
ChEMBL ID CHEMBL465226
ChEBI ID CHEBI:65954
Herb ID HBIN027407
Structure 2D-img
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2D MOL 3D MOL
02. Source Information of Phytochemical
(1) Melia toosendan Cold
Chineses Pinyin KuLianPi
Use Part Bark
Habitat SiChuan, GuiZhou, HuNan, HuBei, HeNan, GanSu
Flavor Bitter
Meridian Tropism Liver, Spleen, Stomach
(2) Melia azedarach Cold
Chineses Pinyin KuLianShi
Use Part Fruit
Habitat ShanXi, HeBei, BeiJing, TianJin, ShanDong
Flavor Bitter
Species
>Kingdom: Viridiplantae
 -->Phylum: Streptophyta
  -->Class: Equisetopsida
   -->Order: Sapindales
    -->Family: Meliaceae
     -->Genus: Melia
      -->Species: Melia azedarach
(3) Garcinia multiflora Cool
Chineses Pinyin ShanZhuZi
Use Part Bark, Fruit
Habitat JiangXi, FuJian, TaiWan, GuangDong, GuangXi, YunNan
Flavor Bitter, Astringent
Species
>Kingdom: Viridiplantae
 -->Phylum: Streptophyta
  -->Class: Equisetopsida
   -->Order: Malpighiales
    -->Family: Clusiaceae
     -->Genus: Garcinia
      -->Species: Garcinia multiflora
(4) Melia azedarach Cold
Chineses Pinyin KuLanPi
Use Part Dried bark and root bark
Habitat SiChuan, GuiZhou, HuNan, HuBei, HeNan, GanSu
Flavor Bitter
Meridian Tropism Liver; Spleen; Stomach
Species
>Kingdom: Viridiplantae
 -->Phylum: Streptophyta
  -->Class: Equisetopsida
   -->Order: Sapindales
    -->Family: Meliaceae
     -->Genus: Melia
      -->Species: Melia azedarach
03. Combinatorial Therapeutic Effect(s)
Synergistic Effect
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Drug(s) whose efficacy can be enhanced by this phytochemical
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Combination Pair ID: 274
Pair Name Gedunin, Epalrestat
Partner Name Epalrestat
Disease Info [ICD-11: 2B66.Z] Oral cancer Investigative
Biological Phenomena Induction-->Blockade of cell cycle in the G1/S phase
Gene Regulation Down-regulation Expression AKT1 hsa207
Down-regulation Expression AR hsa367
Down-regulation Expression CHUK hsa1147
Down-regulation Expression MAPK1 hsa5594
Down-regulation Expression NFKB1 hsa4790
Down-regulation Expression ROS1 hsa6098
In Vitro Model SCC-131 Rat squamous cell carcinoma Rattus norvegicus (Rat) CVCL_6726
Result Our results provide compelling evidence that the combination of gedunin and epalrestat modulates expression of key oncogenic signalling kinases and transcription factors primarily by influencing phosphorylation and subcellular localisation. AR inhibitors such as gedunin and epalrestat are novel candidate agents for cancer prevention and therapy.
04. Reference
No. Title Href
1 Gedunin, A Neem Limonoid in Combination with Epalrestat Inhibits Cancer Hallmarks by Attenuating Aldose Reductase-Driven Oncogenic Signaling in SCC131 Oral Cancer Cells. Anticancer Agents Med Chem. 2018;18(14):2042-2052. doi: 10.2174/1871520618666180731093433. Click
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