Navigation

name Structure Reference Source Properties Activities Metabolism

N-Methyl pachysamine A

AlkaPlorer ID: AK054503

Synonym: 'N-Methylpachysamine A'

IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,N,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine

Structure

SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C

copy

InChI: InChI=1S/C25H46N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h17-23H,8-16H2,1-7H3/t17-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1

copy

InChIKey: IHGKQRLXUYWOQB-SYILLIHQSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Sarcococca hookeriana Sarcococca Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 374.65700000000015

TPSA？: 6.48

MolLogP？: 5.525600000000006

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis IZ 19.0 mm 10.1021/np800305b
Bacillus subtilis Bacillus subtilis MIC 83500.0 nM 10.1021/np800305b
Enterococcus faecalis Enterococcus faecalis IZ 8.0 mm 10.1021/np800305b
Homo sapiens Acetylcholinesterase IC50 22100.0 nM 10.1021/np800305b
Homo sapiens Butyrylcholinesterase IC50 1600.0 nM 10.1021/np800305b
Micrococcus luteus Micrococcus luteus IZ 11.0 mm 10.1021/np800305b
Micrococcus luteus Micrococcus luteus MIC 167100.0 nM 10.1021/np800305b
Pseudomonas Pseudomonas IZ 14.5 mm 10.1021/np800305b
Pseudomonas Pseudomonas MIC 167100.0 nM 10.1021/np800305b

Metabolism Information