Arnottianamide; 9-Demethoxy, 11-methoxy

AlkaPlorer ID: AK012015

Synonym: Isoarnottianamide

IUPAC Name: N-[6-(2-hydroxy-4,5-dimethoxyphenyl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide

Structure

SMILES: COC1=CC(O)=C(C2=CC=C3C=C4OCOC4=CC3=C2N(C)C=O)C=C1OC

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InChI: InChI=1S/C21H19NO6/c1-22(10-23)21-13(15-8-17(25-2)18(26-3)9-16(15)24)5-4-12-6-19-20(7-14(12)21)28-11-27-19/h4-10,24H,11H2,1-3H3

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InChIKey: VAAALYZSWYRNHB-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 381.3840000000001

TPSA: 77.46000000000001

MolLogP: 3.550900000000002

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information