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HIT100515701
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HIT100515701
  • HIT ID:HIT100515701
  • Cas No:68030-18-2
  • Common Name:Berberine chloride hydrate
  • alias:Natural Yellow 18 chloride hydrate
  • IUPAC:16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium hydrate chloride
    IUPAC:16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium hydrate chloride
  • InChIKey:BPNJXFPOPCFZOC-UHFFFAOYSA-M
  • Molecular Formula:C20H20ClNO5
  • Molecular Weight:389.83
  • Hydrogen Bond Donor (HBD):0
  • Hydrogen Bond Acceptor (HBA):5
  • LogP:-0.771
  • SMILES:O.[Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
    SMILES:O.[Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
  • Berberine chloride hydrate (Natural Yellow 18 chloride hydrate) is an alkaloid with antibiotic properties, antitumor activity, and the ability to induce reactive oxygen species (ROS) generation and inhibit DNA topoisomerase.
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