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CHEBI:221693 - Hancockiamide C

ChEBI IDCHEBI:221693
ChEBI NameHancockiamide C
Stars
Last Modified7 August 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32N2O5
Net Charge0
Average Mass512.606
Monoisotopic Mass512.23112
SMILESCOc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc2c1OCO2
InChIInChI=1S/C31H32N2O5/c1-22(34)32-19-27(16-25-17-28(36-2)31-29(18-25)37-21-38-31)33(20-26(32)15-24-11-7-4-8-12-24)30(35)14-13-23-9-5-3-6-10-23/h3-14,17-18,26-27H,15-16,19-21H2,1-2H3/b14-13+/t26-,27-/m0/s1
InChIKeyRVLALFABWNVGIS-HKRYAFHYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus hancockii (ncbitaxon:1873369) - PubMed (33242032)
ChEBI Ontology
Outgoing Relation(s)
Hancockiamide C (CHEBI:221693) has functional parent cinnamic acid (CHEBI:27386)
Hancockiamide C (CHEBI:221693) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(E)-1-[(2S,5S)-4-acetyl-5-benzyl-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
UniProt Name  Source
hancockiamide CUniProt