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Substance Name: Crenatoside
RN: 61276-16-2
InChIKey: FPOYEEKZOOLVJA-DNBQVIFESA-N

Note

  • Isolated from the aerial parts of Orobanche crenata.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H34-O15

Molecular Weight

  • 622.5726
 
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Names and Synonyms

Name of Substance

  • Crenatoside

Synonyms

  • Crenatoside
  • Oraposide
  • Orobanchoside

Systematic Name

  • beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-2-hydroxyethyl-2-O- (6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-

Registry Numbers

CAS Registry Number

  • 61276-16-2

Other Registry Numbers

  • 138215-09-5
  • 145985-09-7

System Generated Number

  • 0061276162

Structure Descriptors

InChI

1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20?,22-,23+,24+,25+,26-,27-,28-,29+/m0/s1

InChIKey

FPOYEEKZOOLVJA-DNBQVIFESA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]3[C@H](OCC(O3)c4ccc(c(c4)O)O)O[C@@H]([C@H]2OC(=O)/C=C/c5ccc(c(c5)O)O)CO)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Farmaco, Edizione Scientifica. Vol. 35, Pg. 3, 1980.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Farmaco, Edizione Scientifica. Vol. 35, Pg. 3, 1980.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Farmaco, Edizione Scientifica. Vol. 35, Pg. 3, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Farmaco, Edizione Scientifica. Vol. 35, Pg. 3, 1980.