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Substance Name: Safflor Yellow A
RN: 85532-77-0
InChIKey: YKDBQWHZEDSTAI-YFGZFMDZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C27-H30-O15

Molecular Weight

  • 594.519
 
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Names and Synonyms

Results Name

  • Safflor Yellow A

Synonyms

  • BRN 4635179
  • Safflor Yellow A

Systematic Name

  • 9H-Pyrano(3,2-b)benzofuran-9-one, 2,3,4,4a,6,9b-hexahydro-6-beta-D-glucopyranosyl-2-(hydroxymethyl)-8-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-3,4,6,7-tetrahydroxy-

Registry Numbers

CAS Registry Number

  • 85532-77-0

System Generated Number

  • 0085532770

Structure Descriptors

InChI

1S/C27H30O15/c28-7-12-17(33)20(36)23-22(40-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(38)27(39,25(15)42-23)26-21(37)19(35)16(32)13(8-29)41-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-39H,7-8H2/b6-3+/t12?,13-,16-,17?,19+,20?,21-,22?,23?,26-,27?/m1/s1

InChIKey

YKDBQWHZEDSTAI-YFGZFMDZSA-N

Smiles

c1cc(ccc1/C=C/C(=O)C2=C(C(C3=C(C2=O)C4C(O3)C(C(C(O4)CO)O)O)([C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5490mg/kg (5490mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 348, 1984.
mouse LD50 oral 5530mg/kg (5530mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 348, 1984.