CHEBI:141916 - Isosungucine

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ChEBI Name Isosungucine
ChEBI ID CHEBI:141916
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C42H42N4O2
Net Charge 0
Average Mass 634.810
Monoisotopic Mass 634.33078
InChI InChI=1S/C42H42N4O2/c1-3-23-21-43-16-15-41-30-9-5-8-12-33(30)46-39(41)28(27(23)18-35(41)43)17-29(40(46)48)34-20-42-31-10-6-7-11-32(31)45-37(47)14-13-25(38(42)45)26-19-36(42)44(34)22-24(26)4-2/h3-14,17,25-27,29,34-36,38-39H,15-16,18-22H2,1-2H3/b23-3-,24-4-/t25-,26-,27-,29?,34+,35-,36-,38-,39-,41+,42+/m0/s1
InChIKey CLTKURJLSGQYAV-MGVOARHGSA-N
SMILES C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N6[C@]4(C(=CC([C@]7(C[C@@]89C%10=CC=CC=C%10N%11C(C=C[C@@]([C@]/%12(C[C@@]8(N7C\C%12=C\C)[H])[H])([C@@]9%11[H])[H])=O)[H])C6=O)[C@]1(C[C@@]32[H])[H])[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Isosungucine (CHEBI:141916) is a monoterpenoid indole alkaloid (CHEBI:65323)
Last Modified
30 August 2018