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  1. General Info
  2. Source Info
  3. Effects Info
  4. Reference
Phytochemical Details
01. General Information
Name Alliin
PubChem CID 87310
Molecular Weight 177.22g/mol
Synonyms

alliin, alliin, (L-Ala)-(R)-isomer, alliin, (L-Ala)-(S)-isomer, alliin, (L-Ala)-isomer, isoalliin, PCSO, S-(2-propenyl)cysteine sulfoxide, S-allylcysteine sulfoxide

Formula C₆H₁₁NO₃S
SMILES C=CCS(=O)CC(C(=O)O)N
InChI 1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1
InChIKey XUHLIQGRKRUKPH-ITZCMCNPSA-N
CAS Number 17795-26-5
ChEMBL ID CHEMBL464166
ChEBI ID CHEBI:182413
Herb ID HBIN015201
KEGG ID C08265
Structure 2D-img
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2D MOL 3D MOL
02. Source Information of Phytochemical
(1) Allium sativum Warm
Chineses Pinyin DaSuan
Use Part Bulb
Habitat China
Flavor Pungent
Meridian Tropism Spleen, Stomach, Lung
Species
>Kingdom: Viridiplantae
 -->Phylum: Streptophyta
  -->Class: Equisetopsida
   -->Order: Asparagales
    -->Family: Amaryllidaceae
     -->Genus: Allium
      -->Species: Allium sativum
(2) Allium cepa Warm
Chineses Pinyin YangCong
Use Part Bulb
Habitat China
Flavor Pungent, Sweet
Meridian Tropism Liver
Species
>Kingdom: Viridiplantae
 -->Phylum: Streptophyta
  -->Class: Equisetopsida
   -->Order: Asparagales
    -->Family: Amaryllidaceae
     -->Genus: Allium
      -->Species: Allium cepa
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: 531
Pair Name Alliin, Paclitaxel
Partner Name Paclitaxel
Disease Info [ICD-11: 2C60] Breast cancer Investigative
Biological Phenomena Induction-->Apoptosis
Gene Regulation Up-regulation Expression CFL1 hsa1072
Down-regulation Expression IPO9 hsa55705
In Vitro Model MCF-7 Invasive breast carcinoma of no special type Homo sapiens (Human) CVCL_0031
Result The data obtained in the present study allow us to conclude that CFL1 itself does not translocate actin into the cell nucleus but this transport requires the functional expression of IPO9.
04. Reference
No. Title Href
1 Downregulation of importin-9 protects MCF-7 cells against apoptosis induced by the combination of garlic-derived alliin and paclitaxel. Oncol Rep. 2016 May;35(5):3084-93. doi: 10.3892/or.2016.4628. Click
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