Ancistrocladinium A

AlkaPlorer ID: AK287902

Synonym: None

IUPAC Name: 2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-2-ium

Structure

SMILES: COC1=CC2=C(C(C)=[N+](C3=CC=C(OC)C4=C(OC)C=C(C)C=C34)C(C)C2)C(OC)=C1

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InChI: InChI=1S/C26H30NO4/c1-15-10-20-21(8-9-22(29-5)26(20)23(11-15)30-6)27-16(2)12-18-13-19(28-4)14-24(31-7)25(18)17(27)3/h8-11,13-14,16H,12H2,1-7H3/q+1

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InChIKey: JKTBSIJVOXMOGK-UHFFFAOYSA-N

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Reference

CAS: 918875-18-0

Properties Information

Molecule Weight: 420.5290000000002

TPSA: 39.93

MolLogP: 5.280420000000005

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information