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Substance Name: Plicatic acid
RN: 16462-65-0
UNII: G3VF11QD86
InChIKey: PGFBYAIGHPJFFJ-PWIZWCRZSA-N

Note

  • Major non-volatile fraction in red cedar dust; identified by inhalation challenge as allergen.

Classification Codes

  • Human Data
  • Natural Product

Molecular Formula

  • C20-H22-O10

Molecular Weight

  • 422.384
 
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Names and Synonyms

Name of Substance

  • Plicatic acid

Synonyms

  • 1-(3,4-Dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-2-naphthalenecarboxylic acid (1S-(1alpha,2alpha,3beta))-
  • 4-10-00-02434 (Beilstein Handbook Reference)
  • AI3-28401
  • BRN 2712741
  • Dust, western red cedar
  • NSC 72234
  • Thuja plicata, extract
  • UNII-G3VF11QD86

Systematic Names

  • (1S-(1alpha,2alpha,3beta))-1-(3,4-Dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-2-naphthalene carboxylic acid
  • 2-Naphthalenecarboxylic acid, 1-(3,4-dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-, (1S,2S,3R)-
  • Plicatic acid

Registry Numbers

CAS Registry Number

  • 16462-65-0

FDA UNII

  • G3VF11QD86

System Generated Number

  • 0016462650

Structure Descriptors

InChI

1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1

InChIKey

PGFBYAIGHPJFFJ-PWIZWCRZSA-N

Smiles

C1[C@](CO)(O)[C@@](C(O)=O)(O)[C@H](c2cc(O)c(cc12)OC)c1cc(c(O)c(c1)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TCLo inhalation 2500gm/m3 (2500000mg/m3) LUNGS, THORAX, OR RESPIRATION: COUGH

LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR CONSTRICTION
American Review of Respiratory Disease. Vol. 108, Pg. 1094, 1973.