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Substance Name: Frangulanine
RN: 25350-22-5
InChIKey: ULQXKOIGVXLOOC-VKKXVIDFSA-N

Note

  • Cyclopeptide alkaloid from Hovenia dulcis Thunb.

Molecular Formula

  • C28-H44-N4-O4

Molecular Weight

  • 500.6796
 
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Names and Synonyms

Name of Substance

  • Frangulanine

Systematic Name

  • Pentanamide, 2-(dimethylamino)-3-methyl-N-(3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-10,12,14,15-tetraen-4-yl)-, (3R-(3R*,4S*(2S*,3S*),7S*))-

Registry Numbers

CAS Registry Number

  • 25350-22-5

System Generated Number

  • 0025350225

Structure Descriptors

InChI

1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19-,22+,23+,24+,25+/m1/s1

InChIKey

ULQXKOIGVXLOOC-VKKXVIDFSA-N

Smiles

CC[C@@H](C)[C@@H](C(=O)N[C@H]1[C@@H](Oc2ccc(cc2)/C=C\NC(=O)[C@@H](NC1=O)CC(C)C)C(C)C)N(C)C