Natural Product (NP) Details

General Information of the NP (ID: NP0998)
Name
narirutin
Species Origin Narirutin (Citrus spp.) ...     Click to Show/Hide
Narirutin (Citrus spp.)
SuperKingdom: Eukaryota
Kingdom: Plantae
Phylum: Tracheophyta
Class: Magnoliopsida
Order: Sapindales
Family: Rutaceae
Genus: Citrus
Species: Citrus sp.
Disease Lung cancer [ICD-11: 2C25] Investigative
Structure
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2D MOL

3D MOL

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Formula
C27H32O14
PubChem CID
442431
Canonical SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
InChI
InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
InChIKey
HXTFHSYLYXVTHC-AJHDJQPGSA-N
CAS Number
14259-46-2
ChEBI ID
CHEBI:28705
Target and Pathway
Target(s) Anoctamin-1  Molecule Info 
Caspase-3 (CASP3)  Molecule Info 
Caspase-9 (CASP9)  Molecule Info 
Protein kinase B beta (AKT2)  Molecule Info