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Substance Name: Agelasine G
RN: 142808-37-5
InChIKey: CFXKQCPPCNHNCZ-DAYZJRKYSA-O

Note

  • Isolated from the Okinawan marine sponge Agelas; exhibits antileukemic activity; a purine containing 9-methyladenine and diterpene moieties.

Molecular Weight

  • 612.633
 
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Names and Synonyms

Name of Substance

  • Agelasine G

Systematic Name

  • 7H-Purinium, 6-amino-7-(5-(5-((((4-bromo-1H-pyrrol-2-yl)carbonyl)oxy)methyl)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a-trimethyl-1-naphthalenyl)-3-methyl-2-pentenyl)-9-methyl-, (1R-(1alpha(E),2beta,4aalpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 142808-37-5

System Generated Number

  • 0142808375

Structure Descriptors

InChI

1S/C31H43BrN6O2/c1-20(11-14-38-19-37(5)28-26(38)27(33)35-18-36-28)9-12-30(3)21(2)10-13-31(4)22(7-6-8-25(30)31)17-40-29(39)24-15-23(32)16-34-24/h7,11,15-16,18,21,25,34H,6,8-10,12-14,17,19H2,1-5H3,(H2,33,35,36)/p+1/b20-11+/t21-,25-,30+,31-/m0/s1

InChIKey

CFXKQCPPCNHNCZ-DAYZJRKYSA-O

Smiles

[N+]1(CN(c2ncnc(c12)N)C)C\C=C(\CC[C@@]1([C@H](CC[C@@]2(C(=CCC[C@@H]12)COC(=O)c1[nH]cc(c1)Br)C)C)C)C