Ancistrocongoline D

AlkaPlorer ID: AK010507

Synonym: '', 'Ancistrine', 'ancistectorine B1', 'Ancistrocongoline D', 'Ancistrobertsonine D'

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

Structure

SMILES: COC1=C2C(=CC(O)=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/C25H29NO4/c1-13-10-20(29-5)23-17(8-7-9-19(23)28-4)21(13)24-18(27)12-16-11-14(2)26-15(3)22(16)25(24)30-6/h7-10,12,14-15,26-27H,11H2,1-6H3/t14-,15+/m0/s1

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InChIKey: RPYYNECGOSGRFR-LSDHHAIUSA-N

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Properties Information

Molecule Weight: 407.5100000000001

TPSA: 59.95

MolLogP: 5.1418200000000045

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