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Antimycin A3

AlkaPlorer ID: AK001603

Synonym: None

IUPAC Name: [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate

Structure

SMILES: CCCC[C@H]1C(=O)O[C@H](C)[C@H](N=C(O)C2=CC=CC(N=CO)=C2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C

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InChI: InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1

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InChIKey: PVEVXUMVNWSNIG-PDPGNHKXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Narcissus pseudonarcissus Narcissus Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces antibioticus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Artemisia iwayomogi Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Myxococcus xanthus Myxococcus Myxococcaceae Myxococcales Myxococcia Myxococcota None Bacteria
Lithospermum carolinense Lithospermum Boraginaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Drimia altissima Drimia Hyacinthaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Taxus wallichiana Taxus Taxaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Evasterias retifera Evasterias Asteriidae Forcipulatida Asteroidea Echinodermata Metazoa Eukaryota
Sideritis glacialis Sideritis Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aconitum umbrosum Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helenium amarum Helenium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Scutellaria viscidula Scutellaria Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Uperoleia rugosa Uperoleia Myobatrachidae Anura Amphibia Chordata Metazoa Eukaryota
Bolboschoenus maritimus Bolboschoenus Cyperaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ligularia lankongensis Ligularia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Allium ampeloprasum Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Maytenus disticha Maytenus Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Conyza pallidiflora Conyza Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Senecio retrorsus Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lonicera nitida Lonicera Caprifoliaceae Dipsacales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 520.5790000000003

TPSA？: 164.30999999999997

MolLogP？: 3.9245000000000014

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis IZ 8.5 mm 10.1016/j.bmcl.2010.05.104
Bacillus subtilis Bacillus subtilis MIC 250.0 ppm 10.1016/j.bmcl.2010.05.104
Bos taurus Bos taurus Log I50 7.4 None 10.1016/j.bmcl.2006.03.023
Candida albicans Candida albicans IZ 10.0 mm 10.1016/j.bmcl.2010.05.104
Candida albicans Candida albicans LD99 50.0 mg/ml 10.1021/np050145p
Candida albicans Candida albicans MIC 50.0 ppm 10.1016/j.bmcl.2010.05.104
Escherichia coli Escherichia coli IZ 7.0 mm 10.1016/j.bmcl.2010.05.104
Escherichia coli Escherichia coli MIC 50.0 ppm 10.1016/j.bmcl.2010.05.104
Homo sapiens 786-0 GI50 9078.21 nM None
Homo sapiens A498 GI50 4226.69 nM None
Homo sapiens A549 GI50 44.06 nM None
Homo sapiens ACHN GI50 1153.45 nM None
Homo sapiens Apoptosis regulator Bcl-2 IC50 2000.0 nM 10.1021/jm010016f
Homo sapiens Apoptosis regulator Bcl-2 Ki 831.76 nM 10.1073/pnas.0709443104
Homo sapiens Apoptosis regulator Bcl-2 Ki 124000.0 nM 10.1016/j.bmc.2006.12.020
Homo sapiens Apoptosis regulator Bcl-W Ki 127000.0 nM 10.1016/j.bmc.2006.12.020
Homo sapiens BT-549 GI50 1682.67 nM None
Homo sapiens CAKI-1 GI50 11857.69 nM None
Homo sapiens CCRF-CEM GI50 22.91 nM None
Homo sapiens COLO 205 GI50 3341.95 nM None
Homo sapiens DU-145 GI50 3548.13 nM None
Homo sapiens EKVX GI50 321.37 nM None
Homo sapiens HCC 2998 GI50 10864.26 nM None
Homo sapiens HCT-116 GI50 10.0 nM None
Homo sapiens HCT-15 GI50 10.0 nM None
Homo sapiens HL-60 GI50 96.83 nM None
Homo sapiens HOP-62 GI50 8413.95 nM None
Homo sapiens HOP-92 GI50 5357.97 nM None
Homo sapiens Hs-578T GI50 13031.67 nM None
Homo sapiens HT-29 GI50 1595.88 nM None
Homo sapiens IGROV-1 GI50 3944.57 nM None
Homo sapiens K562 GI50 12.33 nM None
Homo sapiens KM12 GI50 443.61 nM None
Homo sapiens LOX IMVI GI50 10.0 nM None
Homo sapiens M14 GI50 14927.94 nM None
Homo sapiens Malme-3M GI50 7277.8 nM None
Homo sapiens MCF7 GI50 44.16 nM None
Homo sapiens MDA-MB-231 GI50 4365.16 nM None
Homo sapiens MDA-MB-435 GI50 1111.73 nM None
Homo sapiens MDA-N GI50 2426.61 nM None
Homo sapiens MOLT-4 GI50 10.0 nM None
Homo sapiens NCI/ADR-RES GI50 5321.08 nM None
Homo sapiens NCI-H226 GI50 883.08 nM None
Homo sapiens NCI-H23 GI50 294.44 nM None
Homo sapiens NCI-H322M GI50 11721.95 nM None
Homo sapiens NCI-H460 GI50 10.0 nM None
Homo sapiens NCI-H522 GI50 5929.25 nM None
Homo sapiens OVCAR-3 GI50 2382.32 nM None
Homo sapiens OVCAR-4 GI50 2365.92 nM None
Homo sapiens OVCAR-5 GI50 16982.44 nM None
Homo sapiens OVCAR-8 GI50 2051.16 nM None
Homo sapiens PC-3 GI50 277.97 nM None
Homo sapiens RPMI-8226 GI50 109.4 nM None
Homo sapiens RXF 393 GI50 6486.34 nM None
Homo sapiens SF-268 GI50 6561.45 nM None
Homo sapiens SF-295 GI50 42.07 nM None
Homo sapiens SF-539 GI50 12823.31 nM None
Homo sapiens SK-MEL-2 GI50 1972.42 nM None
Homo sapiens SK-MEL-28 GI50 6729.77 nM None
Homo sapiens SK-MEL-5 GI50 10.0 nM None
Homo sapiens SK-OV-3 GI50 12022.64 nM None
Homo sapiens SN12C GI50 14190.58 nM None
Homo sapiens SNB-19 GI50 2910.72 nM None
Homo sapiens SNB-75 GI50 21428.91 nM None
Homo sapiens SR GI50 34.67 nM None
Homo sapiens SW-620 GI50 8184.65 nM None
Homo sapiens T47D GI50 2192.8 nM None
Homo sapiens TK-10 GI50 6792.04 nM None
Homo sapiens U-251 GI50 149.28 nM None
Homo sapiens UACC-257 GI50 39.99 nM None
Homo sapiens UACC-62 GI50 160.32 nM None
Homo sapiens UO-31 GI50 4943.11 nM None
Parastagonospora nodorum Parastagonospora nodorum LD99 0.2 mg/ml 10.1021/np050145p
Rattus norvegicus RBL-2H3 Activity nan None 10.1021/acs.jnatprod.8b00559
Rhodotorula mucilaginosa Rhodotorula mucilaginosa MIC 0.39 ug.mL-1 10.1016/j.bmcl.2006.03.023
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 16.0 mm 10.1016/j.bmcl.2005.02.065
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 18.0 mm 10.1016/j.bmcl.2005.02.065
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 19.0 mm 10.1016/j.bmcl.2005.02.065
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 26.0 mm 10.1016/j.bmcl.2005.02.065
Staphylococcus aureus Staphylococcus aureus IZ 8.0 mm 10.1016/j.bmcl.2010.05.104
Staphylococcus aureus Staphylococcus aureus MIC 250.0 ppm 10.1016/j.bmcl.2010.05.104
None Unchecked Ki 127000.0 nM 10.1016/j.bmc.2006.12.020

Metabolism Information