Piperarborenine C; 3'-Demethoxy

AlkaPlorer ID: AK310479

Synonym: Piperarborenine E

IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one

Structure

SMILES: COC1=CC=C(C2C(C(=O)N3CCC=CC3=O)C(C3=CC(OC)=C4OCOC4=C3)C2C(=O)N2CCC=CC2=O)C=C1OC

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InChI: InChI=1S/C32H32N2O9/c1-39-20-11-10-18(14-21(20)40-2)26-28(31(37)33-12-6-4-8-24(33)35)27(29(26)32(38)34-13-7-5-9-25(34)36)19-15-22(41-3)30-23(16-19)42-17-43-30/h4-5,8-11,14-16,26-29H,6-7,12-13,17H2,1-3H3

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InChIKey: RIXNFSOJXQSBJT-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Piper arborescens Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 588.6130000000003

TPSA: 120.91

MolLogP: 3.184700000000002

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information