8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; Amide

AlkaPlorer ID: AK155233

Synonym: Aristolamide

IUPAC Name: 8-methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxamide

Structure

SMILES: COC1=CC=CC2=C1C=CC1=C(C(=N)O)C=C3OCOC3=C12

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InChI: InChI=1S/C17H13NO4/c1-20-13-4-2-3-10-9(13)5-6-11-12(17(18)19)7-14-16(15(10)11)22-8-21-14/h2-7H,8H2,1H3,(H2,18,19)

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InChIKey: WRICUAQTIAJGKC-UHFFFAOYSA-N

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Reference

PubChem CID: 53320351

NPASS: NPC77359

COCONUT: CNP0133814

Properties Information

Molecule Weight: 295.29400000000004

TPSA: 71.77000000000001

MolLogP: 3.6136700000000017

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None NON-PROTEIN TARGET IC50 10.0 ug.mL-1 10.1016/j.bmcl.2011.01.067

Metabolism Information