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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > hemiterpenoid indole alkaloid > ergot alkaloid > peptide ergot alkaloid > alpha-ergocryptinine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > hemiterpenoid indole alkaloid > ergot alkaloid > peptide ergot alkaloid > alpha-ergocryptinine

Preferred term

alpha-ergocryptinine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H41N5O5

inchi

  • InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26-,31+,32-/m0/s1

inchikey

  • YDOTUXAWKBPQJW-JJANYQHSSA-N

mass

  • 575.710

monoisotopicmass

  • 575.31077

smiles

  • O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1CC(C)C)=O)(NC(=O)[C@H]4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)C(C)C)O)CCC2

subset

  • 2_STAR

synonym EXACT

  • (6aR,9S)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198098

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