Natural Product (NP) Details

General Information of the NP (ID: NP2096)
Name
Andrographolide
Synonyms
Andrographis; UNII-410105JHGR; CHEBI:65408; 410105JHGR; (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one; AK-47364; 3-(2-(Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one; EINECS 226-852-5; NSC 383468; 3alpha,14,15,18-tetrahydroxy-5b,9bH,10a-labda-8(20),12-dien-16-oic acid gamma-Lactone; 5508-58-7
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Species Origin Astragalus membranaceus ...     Click to Show/Hide
Astragalus membranaceus
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Fabales
Family: Fabaceae
Genus: Astragalus
Species: Astragalus membranaceus
Disease Shigella intestinal infection [ICD-11: 1A02] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C20H30O5
PubChem CID
5318517
Canonical SMILES
CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O
InChI
1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
InChIKey
BOJKULTULYSRAS-OTESTREVSA-N
CAS Number
CAS 5508-58-7
ChEBI ID
CHEBI:65408
Herb ID
HBIN016019
ETMC ID
1512
SymMap ID
SMIT01269
TTD Drug ID
D04VIS
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Resistance can be Reversed by This NP
          5-fluorouracil      Solid tumour/cancer     Click to Show/Hide the Molecular Data of This Drug
                 Reversing Drug Resistance     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
                    Molecule(s)
                    Regulation		 Down-regulation Phosphorylation AKT1  Molecule Info 
Pathway MAP
Down-regulation Expression DKK1  Molecule Info 
Pathway MAP
                    Experimental
                    Result(s)		 Andrographis overcomes 5-fluorouracil-associated chemoresistance through inhibition of DKK1 in colorectal cancer.
References
Reference 1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Reference 2 Andrographis overcomes 5-fluorouracil-associated chemoresistance through inhibition of DKK1 in colorectal cancer. Carcinogenesis. 2021 Jun 21;42(6):814-825.
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