Ligand name: 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose
PDB ligand accession: 3K5
DrugBank: n/a
PubChem: 6436218
ChEMBL: CHEMBL510962
InChI Key: VOTNXJVGRXZYOA-XFJWYURVSA-N
SMILES: CC1COC2(CC1OC(=O)C=Cc3ccccc3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)OC(=O)C)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Tetracarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein A0A1D8PEV4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7Q0F	Download	Experimental	e7q0fAP1	Rubredoxin-like	LigPlot