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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 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 ID CHEBI:189528
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H40N4O3
Net Charge 0
Average Mass 456.631
Monoisotopic Mass 456.31004
InChI InChI=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
InChIKey CJUAPUCTSBZRHL-HFMPRLQTSA-N
SMILES O=C(N1CCN(CC1)C)C[C@@H]2C[C@H]([C@@H](C=C2C)CNC(=O)NC3=CC(OC)=CC=C3)C(C)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
22937097 ChemSpider
View more database links