Navigation

name Structure Reference Source Properties Activities Metabolism

N-[(6S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7,7,12,16-tetramethyltetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),3-dien-6-yl]benzamide

AlkaPlorer ID: AK268717

Synonym: None

IUPAC Name: N-[(6S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl]benzamide

Structure

SMILES: C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](N=C(O)C5=CC=CC=C5)C4(C)C)CC3=CC[C@]12C)N(C)C

copy

InChI: InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)/t21-,25+,26+,27+,28-,29-,32+,33-/m0/s1

copy

InChIKey: YTVHPUYAJHHDPL-YWVLQBNOSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Buxus sempervirens Buxus Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 504.7590000000003

TPSA？: 56.06000000000001

MolLogP？: 6.806000000000008

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Epidermophyton floccosum Epidermophyton floccosum Activity nan None 10.1021/np970028x
Escherichia coli Escherichia coli Activity nan None 10.1021/np970028x
Lemna minor Lemna minor Activity 20.3 % 10.1021/np970028x
Lemna minor Lemna minor Activity 28.6 % 10.1021/np970028x
Lemna minor Lemna minor Activity 46.0 % 10.1021/np970028x
Microsporum canis Microsporum canis Activity nan None 10.1021/np970028x
Proteus mirabilis Proteus mirabilis Activity nan None 10.1021/np970028x
Proteus vulgaris Proteus vulgaris Activity nan None 10.1021/np970028x
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi Activity nan None 10.1021/np970028x
Shigella flexneri Shigella flexneri Activity nan None 10.1021/np970028x
Stachybotrys chartarum Stachybotrys chartarum Activity nan None 10.1021/np970028x

Metabolism Information