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Substance Name: Emethallicin A
RN: 125187-56-6
InChIKey: JJGPWGDUIHLXRM-TYQBLOPUSA-N

Note

  • From Emericella heterothallica; shows a potent inhibitory activity on histamine release from mast cells.

Molecular Formula

  • C34-H28-N2-O8-S2

Molecular Weight

  • 656.733
 
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Names and Synonyms

Name of Substance

  • Emethallicin A

Systematic Name

  • Benzeneacetic acid, alpha-hydroxy-, 5,5a,12,12a-tetrahydro-7,14-dioxo-12-((phenylacetyl)oxy)-8H,15H-7a,14a-epidithio-7H,14H-oxepino(3'',4'':4',5')pyrrolo(1',2':4,5)pyrazino(1,2-a)indol-5-yl ester, (5S-(5alpha(S*),5aalpha,7abeta,12alpha,12aalpha,14abeta))-

Registry Numbers

CAS Registry Number

  • 125187-56-6

System Generated Number

  • 0125187566

Structure Descriptors

InChI

1S/C34H28N2O8S2/c37-26(16-20-8-3-1-4-9-20)43-24-13-7-12-22-17-33-31(40)36-28-23(18-34(36,46-45-33)32(41)35(33)27(22)24)19-42-15-14-25(28)44-30(39)29(38)21-10-5-2-6-11-21/h1-15,19,24-25,27-29,38H,16-18H2/t24-,25-,27-,28-,29+,33+,34+/m0/s1

InChIKey

JJGPWGDUIHLXRM-TYQBLOPUSA-N

Smiles

c1(ccccc1)[C@H](C(=O)O[C@H]1C=COC=C2C[C@]34N(C([C@@]5(N([C@@H]6[C@H](C=CC=C6C5)OC(=O)Cc5ccccc5)C3=O)SS4)=O)[C@H]12)O