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Substance Name: Bakuchiol
RN: 10309-37-2
UNII: OT12HJU3AR
InChIKey: LFYJSSARVMHQJB-QIXNEVBVSA-N

Note

  • Chief component of Psoralea corylifolia Linn.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C18-H24-O

Molecular Weight

  • 256.387
 
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Names and Synonyms

Name of Substance

  • Bakuchiol

Synonyms

  • Bakuchiol
  • UNII-OT12HJU3AR

Systematic Names

  • 4-(3-Ethenyl-3,7-dimethyl-1,6-octadienyl)phenol
  • Phenol, 4-(3-ethenyl-3,7-dimethyl-1,6-octadienyl)-, (S-(E))-

Registry Numbers

CAS Registry Number

  • 10309-37-2

FDA UNII

  • OT12HJU3AR

System Generated Number

  • 0010309372

Structure Descriptors

InChI

1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1

InChIKey

LFYJSSARVMHQJB-QIXNEVBVSA-N

Smiles

C(=C\c1ccc(cc1)O)\[C@](C=C)(CC\C=C(/C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 94mg/kg (94mg/kg)   Mikrobiologicheskii Zhurnal Vol. 42, Pg. 646, 1980.
mouse LD50 intravenous 31mg/kg (31mg/kg)   Mikrobiologicheskii Zhurnal Vol. 42, Pg. 646, 1980.
mouse LD50 oral 2560mg/kg (2560mg/kg)   Mikrobiologicheskii Zhurnal Vol. 42, Pg. 646, 1980.
rat LD subcutaneous > 1gm/kg (1000mg/kg)   Mikrobiologicheskii Zhurnal Vol. 42, Pg. 646, 1980.