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Budmunchiamine A; (R)-form 

AlkaPlorer ID: AK291116

Synonym: None

IUPAC Name: 1,9,13-trimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one

Structure

SMILES: CCCCCCCCCCCC1CC(O)=NCCCN(C)CCCCN(C)CCCN1C

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InChI: InChI=1S/C27H56N4O/c1-5-6-7-8-9-10-11-12-13-18-26-25-27(32)28-19-16-22-29(2)20-14-15-21-30(3)23-17-24-31(26)4/h26H,5-25H2,1-4H3,(H,28,32)

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InChIKey: HQMOQVLQJSZUTH-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 452.7720000000004

TPSA？: 42.31000000000001

MolLogP？: 5.991900000000006

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Artemia Artemia LC50 4.0 ug.mL-1 10.1021/np960397d
Bacillus subtilis Bacillus subtilis IZ 11.0 mm 10.1021/np960397d
Bacillus subtilis Bacillus subtilis MIC 15.0 ug.mL-1 10.1021/np960397d
Escherichia coli Escherichia coli IZ 11.0 mm 10.1021/np960397d
Escherichia coli Escherichia coli MIC 25.0 ug.mL-1 10.1021/np960397d
Homo sapiens 786-0 GI50 1548.82 nM None
Homo sapiens A498 GI50 1671.09 nM None
Homo sapiens A549 GI50 1761.98 nM None
Homo sapiens ACHN GI50 1690.44 nM None
Homo sapiens CAKI-1 GI50 2079.7 nM None
Homo sapiens CCRF-CEM GI50 155.6 nM None
Homo sapiens COLO 205 GI50 1527.57 nM None
Homo sapiens DLD-1 GI50 1599.56 nM None
Homo sapiens DMS-114 GI50 1778.28 nM None
Homo sapiens DMS-273 GI50 1238.8 nM None
Homo sapiens EKVX GI50 1778.28 nM None
Homo sapiens HCC 2998 GI50 1737.8 nM None
Homo sapiens HCT-116 GI50 1545.25 nM None
Homo sapiens HCT-15 GI50 1629.3 nM None
Homo sapiens HL-60 GI50 395.37 nM None
Homo sapiens HOP-18 GI50 1770.11 nM None
Homo sapiens HOP-62 GI50 1655.77 nM None
Homo sapiens HOP-92 GI50 1386.76 nM None
Homo sapiens HT-29 GI50 1555.97 nM None
Homo sapiens IGROV-1 GI50 1819.7 nM None
Homo sapiens K562 GI50 260.62 nM None
Homo sapiens KM12 GI50 1584.89 nM None
Homo sapiens KM-20L2 GI50 1648.16 nM None
Homo sapiens LOX IMVI GI50 1482.52 nM None
Homo sapiens LXFL 529 GI50 1717.91 nM None
Homo sapiens M14 GI50 1803.02 nM None
Homo sapiens M19-MEL GI50 1761.98 nM None
Homo sapiens Malme-3M GI50 1896.71 nM None
Homo sapiens MOLT-4 GI50 1949.84 nM None
Homo sapiens NCI-H226 GI50 1927.52 nM None
Homo sapiens NCI-H23 GI50 1729.82 nM None
Homo sapiens NCI-H322M GI50 1733.8 nM None
Homo sapiens NCI-H460 GI50 1364.58 nM None
Homo sapiens NCI-H522 GI50 1811.34 nM None
Homo sapiens OVCAR-3 GI50 1690.44 nM None
Homo sapiens OVCAR-4 GI50 1741.81 nM None
Homo sapiens OVCAR-5 GI50 1845.02 nM None
Homo sapiens OVCAR-8 GI50 1887.99 nM None
Homo sapiens RPMI-8226 GI50 827.94 nM None
Homo sapiens RXF 393 GI50 1595.88 nM None
Homo sapiens SF-268 GI50 1849.27 nM None
Homo sapiens SF-295 GI50 1640.59 nM None
Homo sapiens SF-539 GI50 1745.82 nM None
Homo sapiens SK-MEL-2 GI50 1753.88 nM None
Homo sapiens SK-MEL-28 GI50 1694.34 nM None
Homo sapiens SK-MEL-5 GI50 1972.42 nM None
Homo sapiens SK-OV-3 GI50 1798.87 nM None
Homo sapiens SN12C GI50 1737.8 nM None
Homo sapiens SNB-19 GI50 1702.16 nM None
Homo sapiens SNB-75 GI50 1592.21 nM None
Homo sapiens SNB-78 GI50 1786.49 nM None
Homo sapiens SR GI50 229.61 nM None
Homo sapiens SW-620 GI50 1061.7 nM None
Homo sapiens TK-10 GI50 1733.8 nM None
Homo sapiens U-251 GI50 1663.41 nM None
Homo sapiens UACC-257 GI50 1678.8 nM None
Homo sapiens UACC-62 GI50 1678.8 nM None
Homo sapiens UO-31 GI50 1717.91 nM None
Homo sapiens XF498 GI50 1648.16 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 10.0 mm 10.1021/np960397d
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 30.0 ug.mL-1 10.1021/np960397d
Staphylococcus aureus Staphylococcus aureus IZ 10.0 mm 10.1021/np960397d
Staphylococcus aureus Staphylococcus aureus MIC 18.0 ug.mL-1 10.1021/np960397d

Metabolism Information