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Substance Name: Breviscapine
RN: 116122-36-2
InChIKey: DJSISFGPUUYILV-ZFORQUDYSA-N

Note

  • 4'-scutellarin-7-glucuronide isolated from the herb Erigeron breviscapus (ASTERACEAE); new-breviscapine is a mixture of breviscapine with Fe, Mg, & Ca salts.

Classification Code

  • Natural Product

Molecular Weight

  • 462.3612
 
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Names and Synonyms

Name of Substance

  • Breviscapine

Synonym

  • Breviscapin

Systematic Name

  • Breviscapine

Registry Numbers

CAS Registry Number

  • 116122-36-2

System Generated Number

  • 0116122362

Structure Descriptors

InChI

1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

DJSISFGPUUYILV-ZFORQUDYSA-N

Smiles

O[C@@H]1[C@@H](O)[C@H](Oc2cc3OC(=CC(=O)c3c(O)c2O)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1314mg/kg (1314mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 14, Pg. 33, 1983.