Navigation

name Structure Reference Source Properties Activities Metabolism

Nocardamine

AlkaPlorer ID: AK002818

Synonym: 1,12,23-Trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacontane-2,5,13,16,24,27-hexone, Deferrioxamine E, Desferrioxamine E, Proferrioxamine E

IUPAC Name: 1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone

Structure

SMILES: O=C1CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN1O

copy

InChI: InChI=1S/C27H48N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h40-42H,1-21H2,(H,28,34)(H,29,35)(H,30,36)

copy

InChIKey: NHKCCADZVLTPPO-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 600.7140000000002

TPSA？: 219.39

MolLogP？: 3.374400000000003

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 89125.1 nM None
Bacillus subtilis Bacillus subtilis Activity nan None 10.1021/np040220g
Candida albicans Candida albicans Activity nan None 10.1021/acs.jnatprod.1c00061
Candida albicans Candida albicans Activity nan None 10.1021/np040220g
Escherichia coli Escherichia coli Activity nan None 10.1021/acs.jnatprod.1c00061
Escherichia coli Escherichia coli Activity nan None 10.1021/np040220g
Escherichia coli (strain K12) Exodeoxyribonuclease V IC50 118575.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 16353.5 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 79432.8 nM None
Homo sapiens Chromobox protein homolog 1 Potency 63095.7 nM None
Homo sapiens DNA polymerase beta Potency 1412.5 nM None
Homo sapiens DNA polymerase iota Potency 89125.1 nM None
Homo sapiens Geminin Potency 4109.5 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 28183.8 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 14581.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 7943.3 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 14125.4 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 29092.9 nM None
Homo sapiens Parathyroid hormone receptor Potency 56234.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Klebsiella pneumoniae Klebsiella pneumoniae Activity nan None 10.1021/np040220g
Micrococcus luteus Micrococcus luteus Activity nan None 10.1021/np040220g
Mus musculus B16 Activity nan None 10.1021/acs.jnatprod.1c00061
Nakaseomyces glabratus Nakaseomyces glabratus Activity nan None 10.1021/acs.jnatprod.1c00061
Plasmodium falciparum Plasmodium falciparum Potency 5858.4 nM None
Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM None
Proteus vulgaris Proteus vulgaris Activity nan None 10.1021/np040220g
Pseudomonas aeruginosa Pseudomonas aeruginosa Activity nan None 10.1021/acs.jnatprod.1c00061
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Activity nan None 10.1021/np040220g
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/acs.jnatprod.1c00061
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/np040220g
Trichophyton mentagrophytes Trichophyton mentagrophytes Activity nan None 10.1021/np040220g
Trichophyton rubrum Trichophyton rubrum Activity nan None 10.1021/np040220g
None No relevant target EC50 22400.0 nM 10.1021/acs.jnatprod.1c00061
None Unchecked EC50 200.0 ug.mL-1 10.1021/np040220g
None Unchecked IC50 22000.0 nM 10.1016/j.bmc.2019.05.002
None Unchecked IC50 118575.0 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 25929.0 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017944 NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O>>O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1 RXN-10998