Details of the Drug

General Information of Drug (ID: DMMLNTW)

• Drug Name: Genistein-7-glucoside
• Synonyms: 1POG3SCN5T; 4',5,7-trihydroxyisoflavone 7-D-glucoside; BRN 0064479; C21H20O10; CHEBI:27514; Genistein 7-O-beta-D-glucoside; Genistein 7-glucoside; Genistein glucoside; Genistein, 7-O-beta-D-glucoside; Genistein, 7-beta-D-glucopyranoside; Genistein-7-glucoside; Genisteol 7-monoglucoside; Genistin; Genistine; Genistoside; Glucopyranoside, genistein-7, beta-D-; Glucosyl-7-genistein; Isoflavone, 4',5,7-trihydroxy-, 7-D-glucoside; MFCD00016883; NSC 5112; UNII-1POG3SCN5T; ZCOLJUOHXJRHDI-CMWLGVBASA-N; genistein 7-O-glucoside
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 432.381
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 6
  Hydrogen Bond Acceptor Count; 10
• Chemical Identifiers:
  Formula: C21H20O10
  IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  Canonical SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
  InChI: InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
  InChIKey: ZCOLJUOHXJRHDI-CMWLGVBASA-N
• Cross-matching ID:
  PubChem CID: 5281377
  ChEBI ID: CHEBI:27514
  CAS Number: 529-59-9
  VARIDT ID: DR01318

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Glucose-6-phosphate 1-dehydrogenase (G6PD)	OT300SMK	G6PD_HUMAN	Gene/Protein Processing	[2]
Metallothionein-1A (MT1A)	OTKBH52X	MT1A_HUMAN	Gene/Protein Processing	[2]
Metallothionein-1E (MT1E)	OTXJKU4Y	MT1E_HUMAN	Gene/Protein Processing	[2]
Metallothionein-1X (MT1X)	OT9AKFVS	MT1X_HUMAN	Gene/Protein Processing	[2]
Metallothionein-2 (MT2A)	OTHOACHD	MT2_HUMAN	Gene/Protein Processing	[2]
Proton-coupled zinc antiporter SLC30A1 (SLC30A1)	OTY8J0S4	ZNT1_HUMAN	Gene/Protein Processing	[2]

References

• [1] Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64.
• [2] Water-soluble genistin glycoside isoflavones up-regulate antioxidant metallothionein expression and scavenge free radicals. J Agric Food Chem. 2006 May 31;54(11):3819-26.