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Substance Name: Phallacidin
RN: 26645-35-2
InChIKey: KUBDTFZQCYLLGC-UHFFFAOYSA-N

Note

  • Bicyclic heptapeptide from Amanita (along with phalloidin).

Molecular Formula

  • C37-H50-N8-O13-S

Molecular Weight

  • 846.911
 
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Names and Synonyms

Name of Substance

  • Phallacidin

Synonyms

  • BRN 0604129
  • Phallacidin

Systematic Name

  • cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-erythro-3-hydroxy-D-alpha-aspartyl-L-cysteinyl-cis-4-hydroxy-L-prolyl) cyclic (2-6)-sulfide

Registry Numbers

CAS Registry Number

  • 26645-35-2

System Generated Number

  • 0026645352

Structure Descriptors

InChI

1S/C37H50N8O13S/c1-15(2)25-32(53)44-26(27(48)36(56)57)33(54)41-23-13-59-34-19(18-7-5-6-8-20(18)42-34)10-21(29(50)40-22(30(51)43-25)11-37(4,58)14-46)39-28(49)16(3)38-31(52)24-9-17(47)12-45(24)35(23)55/h5-8,15-17,21-27,42,46-48,58H,9-14H2,1-4H3,(H,38,52)(H,39,49)(H,40,50)(H,41,54)(H,43,51)(H,44,53)(H,56,57)

InChIKey

KUBDTFZQCYLLGC-UHFFFAOYSA-N

Smiles

CC1C(=O)NC2Cc3c4ccccc4[nH]c3SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C(C)C)C(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2mg/kg (2mg/kg)   CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978.
mouse LD50 unreported 2500ug/kg (2.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 2142, 1972.