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CHEBI:189528 - 1-({(1s,4s,6s)-6-isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)urea

ChEBI IDCHEBI:189528
ChEBI Name1-({(1s,4s,6s)-6-isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)urea
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40N4O3
Net Charge0
Average Mass456.631
Monoisotopic Mass456.31004
SMILESCOc1cccc(NC(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(C)CC3)C[C@H]2C(C)C)c1
InChIInChI=1S/C26H40N4O3/c1-18(2)24-14-20(15-25(31)30-11-9-29(4)10-12-30)19(3)13-21(24)17-27-26(32)28-22-7-6-8-23(16-22)33-5/h6-8,13,16,18,20-21,24H,9-12,14-15,17H2,1-5H3,(H2,27,28,32)/t20-,21-,24-/m0/s1
InChIKeyCJUAPUCTSBZRHL-HFMPRLQTSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
1-({(1s,4s,6s)-6-isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)urea (CHEBI:189528) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
1-(3-methoxyphenyl)-3-[[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]urea
Manual XrefsDatabases
22937097ChemSpider