Ancistrocladinium A; 4'-O-De-Me 

AlkaPlorer ID: AK287903

Synonym: 4'-O-Demethylancistrocladinium A 

IUPAC Name: None

Structure

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

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

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InChIKey: PANSAHIUUVHZIH-UHFFFAOYSA-O

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Reference

CAS: 1266338-37-7

Properties Information

Molecule Weight: 406.5020000000002

TPSA: 50.93000000000001

MolLogP: 4.977420000000004

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