Aristolactam CII; 1'-Carboxylic acid, O2-de-Me 

AlkaPlorer ID: AK008356

Synonym: Aristolactam DII

IUPAC Name: 14-hydroxy-15-methoxy-11-oxo-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaene-13-carboxylic acid

Structure

SMILES: COC1=C(O)C(C(=O)O)=C2C(=O)NC3=CC4=CC=CC=C4C1=C32

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InChI: InChI=1S/C17H11NO5/c1-23-15-10-8-5-3-2-4-7(8)6-9-11(10)12(16(20)18-9)13(14(15)19)17(21)22/h2-6,19H,1H3,(H,18,20)(H,21,22)

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InChIKey: OJJZURBYSYZEQT-UHFFFAOYSA-N

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Reference

PubChem CID: 71334227

CAS: 106283-33-4

SuperNatural Ⅲ: SN0267057

COCONUT: CNP0310809

Source

Properties Information

Molecule Weight: 309.27700000000004

TPSA: 95.86

MolLogP: 2.9711000000000007

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information