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Substance Name: Hypericin
RN: 548-04-9
UNII: 7V2F1075HD
InChIKey: BTXNYTINYBABQR-UHFFFAOYSA-N

Molecular Formula

  • C30-H16-O8

Molecular Weight

  • 504.448
 

Classification Codes

  • Anti-Infective Agents
  • Antidepressive Agents
  • Antineoplastic Agents
  • Antiviral Agents
  • Central Nervous System Agents
  • Enzyme Inhibitors
  • Immunologic Factors
  • Immunosuppressive Agents
  • Psychotropic Drugs
  • Radiation-Sensitizing Agents
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Names and Synonyms

Name of Substance

  • Hypericin

Synonyms

  • (component of) Hypericum spp (st. John's wort)
  • 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethyl-mesonapthtodianthron
  • CCRIS 8166
  • EINECS 208-941-0
  • Hypericum red
  • NSC 407313
  • NSC 622946
  • UNII-7V2F1075HD

Systematic Name

  • 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione

Registry Numbers

CAS Registry Number

  • 548-04-9

FDA UNII

  • 7V2F1075HD

System Generated Number

  • 0000548049

Structure Descriptors

InChI

1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3

InChIKey

BTXNYTINYBABQR-UHFFFAOYSA-N

Smiles

c12c3c4c5c(cc(c4c(=O)c4c3c(c(cc4O)O)c3c2c(c(O)cc3O)c(c2c1c5c(cc2O)C)=O)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 8.780 (none)   EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.