Ancistrocladinium B; (S)-form 

AlkaPlorer ID: AK287905

Synonym: None

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

Structure

SMILES: COC1=CC2=C(C(C)=[N+](C3=CC=C4C=C(C)C=C(OC)C4=C3O)C(C)C2)C(OC)=C1

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InChI: InChI=1S/C25H27NO4/c1-14-9-17-7-8-20(25(27)24(17)21(10-14)29-5)26-15(2)11-18-12-19(28-4)13-22(30-6)23(18)16(26)3/h7-10,12-13,15H,11H2,1-6H3/p+1

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InChIKey: WXOAABREETYYJH-UHFFFAOYSA-O

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Reference

PubChem CID: 73211598

COCONUT: CNP0473519.1

Properties Information

Molecule Weight: 406.5020000000002

TPSA: 50.93000000000001

MolLogP: 4.977420000000005

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information