(-)-O-Methylancistrocladine

AlkaPlorer ID: AK014974

Synonym: '', '(+)-O-Methylhamatine', 'O-Methylhamatine', 'Ancistroealaensine'

IUPAC Name: (1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

Structure

SMILES: COC1=CC(OC)=C2C(=C1C1=C(C)C=C(OC)C3=C1C=CC=C3OC)C[C@H](C)N[C@H]2C

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InChI: InChI=1S/C26H31NO4/c1-14-11-20(29-5)25-17(9-8-10-19(25)28-4)23(14)26-18-12-15(2)27-16(3)24(18)21(30-6)13-22(26)31-7/h8-11,13,15-16,27H,12H2,1-7H3/t15-,16-/m0/s1

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InChIKey: RVMRJGIRKITWGW-HOTGVXAUSA-N

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Properties Information

Molecule Weight: 421.53700000000015

TPSA: 48.95

MolLogP: 5.444820000000004

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information