Molecule

N-Methyl-7-epi-dioncophylline A

AlkaPlorer ID: AK013930

Synonym: '', 'N-Methyldioncophylline A', 'N-Methyl-7-epi-dioncophylline A', 'N-Methyltriphyophylline'

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

Structure

SMILES: COC1=CC=CC2=C(C3=CC=C4C[C@H](C)N(C)[C@@H](C)C4=C3O)C(C)=CC(OC)=C12

InChI: InChI=1S/C25H29NO3/c1-14-12-21(29-6)24-18(8-7-9-20(24)28-5)22(14)19-11-10-17-13-15(2)26(4)16(3)23(17)25(19)27/h7-12,15-16,27H,13H2,1-6H3/t15-,16-/m0/s1

InChIKey: ZSYADESMHZOJRK-HOTGVXAUSA-N

Reference

Atrop-diastereomer separation by racemate resolution techniques: N-methyl-dioncophylline A and its 7-epimer from Ancistrocladus abbreviatus

PubChem CID: 163019169

LOTUS: LTS0154947

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ancistrocladus abbreviatus	Ancistrocladus	Ancistrocladaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 391.5110000000002

TPSA？: 41.93000000000001

MolLogP？: 5.475420000000006

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi