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CHEBI:3382 - Caracurine V

ChEBI IDCHEBI:3382
ChEBI NameCaracurine V
Stars
Last Modified19 February 2018
DownloadsMolfile
FormulaC38H40N4O2
Net Charge0
Average Mass584.764
Monoisotopic Mass584.31513
SMILES[H][C@@]12N3c4ccccc4[C@@]14CCN1CC5=CCO[C@@]([H])(N6c7ccccc7[C@@]78CCN9CC%10=CCO[C@]3([H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@]98[H])[C@]2([H])[C@@]5([H])C[C@]14[H]
InChIInChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
InChIKeyCIRUUTNLDXXBKU-HCKBHOMASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Caracurine V (CHEBI:3382) is a alkaloid (CHEBI:22315)
Synonym  Source
Caracurine VKEGG COMPOUND
Manual XrefsDatabases
C00001702KNApSAcK
C09100KEGG COMPOUND
Registry NumbersSources
CAS:630-87-5KEGG COMPOUND