Korupensamine A; Atropisomer, 4'-O-de-Me, 5',8-di-Me ether, N-Me 

AlkaPlorer ID: AK303787

Synonym: N-Methylkorupensamine E, Ancistrolikokine C 

IUPAC Name: 5-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-6-ol

Structure

SMILES: COC1=CC(O)=C(C2=CC=C(OC)C3=C(O)C=C(C)C=C23)C2=C1C(C)N(C)C(C)C2

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InChI: InChI=1S/C25H29NO4/c1-13-9-17-16(7-8-21(29-5)25(17)19(27)10-13)24-18-11-14(2)26(4)15(3)23(18)22(30-6)12-20(24)28/h7-10,12,14-15,27-28H,11H2,1-6H3

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InChIKey: TYMIXIDLUMXISB-UHFFFAOYSA-N

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Reference

PubChem CID: 85095728

CAS: 297749-38-3

COCONUT: CNP0143495.2

Properties Information

Molecule Weight: 407.5100000000002

TPSA: 62.16

MolLogP: 5.181020000000004

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information