CHEBI:113037 - 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-methyl-1-piperidinyl)-3-oxopropyl]-4-phenyl-1-benzopyran-2-one

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ChEBI Name 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-methyl-1-piperidinyl)-3-oxopropyl]-4-phenyl-1-benzopyran-2-one
ChEBI ID CHEBI:113037
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H35NO6
Net Charge 0
Average Mass 541.635
Monoisotopic Mass 541.24644
InChI InChI=1S/C33H35NO6/c1-21-9-8-16-34(20-21)29(35)17-25(23-12-14-24(37-2)15-13-23)31-27(38-3)19-28(39-4)32-26(18-30(36)40-33(31)32)22-10-6-5-7-11-22/h5-7,10-15,18-19,21,25H,8-9,16-17,20H2,1-4H3
InChIKey YPJKYBSCZLMZHS-UHFFFAOYSA-N
SMILES CC1CCCN(C1)C(=O)CC(C2=CC=C(C=C2)OC)C3=C(C=C(C4=C3OC(=O)C=C4C5=CC=CC=C5)OC)OC
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-methyl-1-piperidinyl)-3-oxopropyl]-4-phenyl-1-benzopyran-2-one (CHEBI:113037) is a diarylheptanoid (CHEBI:78802)
Manual Xref Database
LSM-24447 LINCS
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