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Substance Name: Janthinocin B
RN: 131086-53-8
InChIKey: MDODWZNDNCDVHR-YWACARBRSA-N

Note

  • Isolated from Janthinobacterium lividum.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C57-H82-N12-O16

Molecular Weight

  • 1191.34
 
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Names and Synonyms

Name of Substance

  • Janthinocin B

Synonyms

  • 8-(alpha,beta-Didehydro-beta-hydroxytryptophan)janthinocin A
  • Janthinocin B

Systematic Name

  • Janthinocin A, 8-(alpha,beta-didehydro-beta-hydroxytryptophan)-

Registry Numbers

CAS Registry Number

  • 131086-53-8

System Generated Number

  • 0131086538

Structure Descriptors

InChI

1S/C57H82N12O16/c1-9-29(7)40(59)52(79)69-44-47(28(5)6)85-57(84)37(23-31-17-12-11-13-18-31)63-49(76)36(21-16-22-58)62-55(82)43(46(74)33-24-60-35-20-15-14-19-32(33)35)68-50(77)38(25-70)64-48(75)34(10-2)61-54(81)42(45(73)27(3)4)67-51(78)39(26-71)65-53(80)41(30(8)72)66-56(44)83/h10-15,17-20,24,27-30,36-42,44-45,47,60,70-74H,9,16,21-23,25-26,58-59H2,1-8H3,(H,61,81)(H,62,82)(H,63,76)(H,64,75)(H,65,80)(H,66,83)(H,67,78)(H,68,77)(H,69,79)/b34-10-,46-43+

InChIKey

MDODWZNDNCDVHR-YWACARBRSA-N

Smiles

N1[C@@H](CCCN)C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N\C(=C/C)C(=O)N[C@@H](CO)C(=O)NC(=C(/O)c2c[nH]c3c2cccc3)\C1=O)=O)[C@@H](O)C(C)C)CO)[C@@H](O)C)NC(=O)[C@@H]([C@@H](C)CC)N)C(C)C)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 120mg/kg (120mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 913, 1990.