Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Waglerin I
RN: 145038-84-2
InChIKey: XGPRWOCHJCOKPK-MPSWBVCDSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C112-H175-N37-O26-S2

Molecular Weight

  • 2519.9795
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Waglerin I

Synonyms

  • Trimeresurus wagleri toxin I
  • Waglerin I

Systematic Name

  • L-Arginine, glycylglycyl-L-lysyl-L-prolyl-L-alpha-aspartyl-L-leucyl-L-arginyl-L-prolyl-L-cysteinyl-L-histidyl-L-prolyl-L-prolyl-L-cysteinyl-L-histidyl-L-tyrosyl-L-isoleucyl-L-prolyl-L-arginyl-L-prolyl-L-lysyl-L-prolyl-, cyclic (9-13)-disulfide

Registry Numbers

CAS Registry Number

  • 145038-84-2

System Generated Number

  • 0145038842

Structure Descriptors

InChI

1S/C112H175N37O26S2/c1-5-62(4)89(108(173)148-46-18-30-84(148)97(162)133-70(23-11-39-125-111(118)119)105(170)144-42-13-25-79(144)96(161)132-68(21-7-9-37-114)103(168)145-43-14-26-80(145)98(163)134-71(109(174)175)24-12-40-126-112(120)121)142-93(158)73(49-63-32-34-66(150)35-33-63)136-91(156)74(50-64-54-122-59-128-64)137-94(159)77-57-176-177-58-78(95(160)139-76(51-65-55-123-60-129-65)106(171)149-47-19-31-85(149)107(172)147-45-17-29-83(147)101(166)140-77)141-100(165)82-28-16-44-146(82)104(169)69(22-10-38-124-110(116)117)131-90(155)72(48-61(2)3)135-92(157)75(52-88(153)154)138-99(164)81-27-15-41-143(81)102(167)67(20-6-8-36-113)130-87(152)56-127-86(151)53-115/h32-35,54-55,59-62,67-85,89,150H,5-31,36-53,56-58,113-115H2,1-4H3,(H,122,128)(H,123,129)(H,127,151)(H,130,152)(H,131,155)(H,132,161)(H,133,162)(H,134,163)(H,135,157)(H,136,156)(H,137,159)(H,138,164)(H,139,160)(H,140,166)(H,141,165)(H,142,158)(H,153,154)(H,174,175)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)/t62-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-/m0/s1

InChIKey

XGPRWOCHJCOKPK-MPSWBVCDSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc6cnc[nH]6)C(=O)N7CCC[C@H]7C(=O)N8CCC[C@H]8C(=O)N3)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCCNC(=N)N)C(=O)N%10CCC[C@H]%10C(=O)N[C@@H](CCCCN)C(=O)N%11CCC[C@H]%11C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 369ug/kg (0.369mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Toxicon. Vol. 29, Pg. 227, 1991.
mouse LD50 intravenous 170ug/kg (0.17mg/kg)   Toxicon. Vol. 27, Pg. 349, 1989.