Dataset-S1.214

AlkaPlorer ID: AK009215

Synonym: '', 'Korupensamine E', 'Dataset-S1.215', 'ConMedNP.331', 'ConMedNP.332', 'Ancistrolikokine B'

IUPAC Name: (1S,3S)-5-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol

Structure

SMILES: COC1=CC(O)=C(C2=CC=C(OC)C3=C(O)C=C(C)C=C23)C2=C1[C@H](C)N[C@@H](C)C2

copy

InChI: InChI=1S/C24H27NO4/c1-12-8-16-15(6-7-20(28-4)24(16)18(26)9-12)23-17-10-13(2)25-14(3)22(17)21(29-5)11-19(23)27/h6-9,11,13-14,25-27H,10H2,1-5H3/t13-,14-/m0/s1

copy

InChIKey: AFHOBLZGERHVHS-KBPBESRZSA-N

copy

Properties Information

Molecule Weight: 393.4830000000002

TPSA: 70.95

MolLogP: 4.838820000000004

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information