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Demethylenenocardamine

AlkaPlorer ID: AK003557

Synonym: 1,12,22-Trihydroxy-1,6,12,17,22,27-hexaazacyclodotriacontane-2,5,13,16,23,26-hexone

IUPAC Name: 1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone

Structure

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

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InChI: InChI=1S/C26H46N6O9/c33-21-9-12-24(36)30(39)18-6-2-4-16-28-22(34)10-14-26(38)32(41)20-8-5-17-29-23(35)11-13-25(37)31(40)19-7-1-3-15-27-21/h39-41H,1-20H2,(H,27,33)(H,28,34)(H,29,35)

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InChIKey: SXTGVXKFOVZYIK-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces sp. Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 586.6870000000002

TPSA？: 219.39

MolLogP？: 2.984300000000004

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/np040220g
Escherichia coli Escherichia coli Activity nan None 10.1021/np040220g
Escherichia coli (strain K12) Exodeoxyribonuclease V IC50 118549.0 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 56234.1 nM None
Homo sapiens Geminin Potency 1636.0 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 3981.1 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 4466.8 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 50118.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23109.3 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
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Proteus vulgaris Proteus vulgaris Activity nan None 10.1021/np040220g
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Activity nan None 10.1021/np040220g
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 Unchecked EC50 126.4 ug.mL-1 10.1021/np040220g
None Unchecked IC50 118549.0 nM None
None Unchecked Potency 7943.3 nM None
None Unchecked Potency 20596.2 nM None

Metabolism Information