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Isochaetominine A

AlkaPlorer ID: AK057523

Synonym: None

IUPAC Name: (1R,10S,13R,15R)-1-hydroxy-13-(4-oxoquinazolin-3-yl)-10-propan-2-yl-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione

Structure

SMILES: CC(C)[C@H]1C(=O)N2C3=CC=CC=C3[C@]3(O)C[C@@H](N4C=NC5=CC=CC=C5C4=O)C(=O)N1[C@H]23

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InChI: InChI=1S/C24H22N4O4/c1-13(2)19-22(31)27-17-10-6-4-8-15(17)24(32)11-18(21(30)28(19)23(24)27)26-12-25-16-9-5-3-7-14(16)20(26)29/h3-10,12-13,18-19,23,32H,11H2,1-2H3/t18-,19+,23+,24-/m1/s1

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InChIKey: NBKVRNRJWWLJKF-RJADORODSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus sp. Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 430.46400000000017

TPSA？: 95.74

MolLogP？: 1.7686

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis MIC 100.0 ug.mL-1 10.1021/np500683u
Candida albicans Isocitrate lyase Inhibition nan % 10.1021/np500683u
Escherichia coli Escherichia coli MIC 100.0 ug.mL-1 10.1021/np500683u
Homo sapiens A549 IC50 18550.0 nM 10.1021/np500683u
Homo sapiens K562 IC50 14400.0 nM 10.1021/np500683u
Micrococcus luteus Micrococcus luteus MIC 100.0 ug.mL-1 10.1021/np500683u
Proteus hauseri Proteus hauseri MIC 100.0 ug.mL-1 10.1021/np500683u
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium MIC 100.0 ug.mL-1 10.1021/np500683u
Staphylococcus aureus Staphylococcus aureus MIC 100.0 ug.mL-1 10.1021/np500683u
None Unchecked IC50 37850.0 nM 10.1021/np500683u
None Unchecked Inhibition nan % 10.1021/np500683u

Metabolism Information