Natural Product (NP) Details

General Information of the NP (ID: NP1020)
Name
Baohuoside I
Species Origin Baohuoside I (Epimedium sagittatum) ...     Click to Show/Hide
Baohuoside I (Epimedium sagittatum)
SuperKingdom: Eukaryota
Kingdom: Plantae
Phylum: Tracheophyta
Class: Magnoliopsida
Order: Ranunculales
Family: Berberidaceae
Genus: Epimedium
Species: E. sagittatum
Disease Breast cancer [ICD-11: 2C60] Investigative
Structure
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2D MOL

3D MOL

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Formula
C27H30O10
PubChem CID
5488822
Canonical SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O
InChI
InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1
InChIKey
NGMYNFJANBHLKA-LVKFHIPRSA-N
CAS Number
113558-15-9
ChEBI ID
CHEBI:82619
Target and Pathway
Target(s) C-X-C motif chemokine 1 (CXCL1)  Molecule Info 
Programmed cell death 1 ligand 1 (PD-L1)  Molecule Info