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Cluster scaffolds:

1

Putative metabolites:

Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure

tautomycetin 40 0.48 0.54 0.56 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C=C/C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)CC view tautomycetin
nemadectin 0 0.67 0.55 0.76 0.67 6-Ring:2/3 * 5-Ring:1/3 MIBiG Source CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@H]([C@@H]1O)[C@@]42O)OC1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 view nemadectin
salinomycin 1 0.63 0.47 0.7 0.8 6-Ring:3/3 * 5-Ring:1/3 MIBiG Source CC[C@@H](C(=O)O)C1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(C=C[C@@H](O)[C@@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 view salinomycin
Kendomycin 2 0.62 0.52 0.78 0.29 6-Ring:1/3 * 5-Ring:0/3 MIBiG Source CC1=C2O[C@]3(O)C=C2C(=C(O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C view Kendomycin
Thaliandiol 3 0.6 0.52 0.8 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C view Thaliandiol
tirucalla 4 0.6 0.56 0.79 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C view tirucalla
FD-891 5 0.6 0.56 0.77 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CO[C@@H](C)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)CCC(C)[C@@H]1C/C=C\C=C/CC(O)C2O[C@H]2[C@@H](O)[C@H](C)/C=C(C)\C=C(\C)C(=O)O1 view FD-891
Thalianol 6 0.6 0.6 0.75 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC(C)=CCC/C(C)=C/CC[C@@H](C)[C@@]1(C)CCC2=C1CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C view Thalianol
Bafilomycin B1 7 0.6 0.54 0.72 0.29 6-Ring:1/3 * 5-Ring:0/3 MIBiG Source CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O view Bafilomycin B1
oligomycin 8 0.6 0.49 0.71 0.5 6-Ring:2/3 * 5-Ring:0/3 MIBiG Source CC[C@@H]1/C=C\C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C view oligomycin
maklamicin 9 0.59 0.51 0.73 0.29 6-Ring:0/3 * 5-Ring:1/3 MIBiG Source C[C@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@H](C)/C=C\C[C@]4(C)C=C(CO)[C@H](C[C@@H](C)O)C[C@]45OC(=O)/C(=C(\O)[C@@]23C)C5=O)C1 view maklamicin
meridamycin 10 0.59 0.54 0.71 0.29 6-Ring:1/3 * 5-Ring:0/3 MIBiG Source CC/C1=C/C[C@@H](/C(C)=C/[C@@H](C)[C@@H](C)O)OC(=O)C2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](O)[C@H](C)[C@@H](O)C[C@@H](O)C[C@H](O)/C(C)=C\[C@@H](C)CC(C)[C@@H]1O view meridamycin
JBIR-100 11 0.58 0.52 0.7 0.29 6-Ring:1/3 * 5-Ring:0/3 MIBiG Source C/C1=C/C(C)C(O)C(C)C/C(C)=C\C=C/CC(C(C)C(O)C(C)C2(O)CC(OC(=O)/C=C/C(=O)O)C(C)C(C(C)C)O2)OC(=O)\C(C)=C/1 view JBIR-100
concanamycin A 12 0.58 0.52 0.7 0.29 6-Ring:1/3 * 5-Ring:0/3 MIBiG Source C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@@H]2OC)C[C@@H](O)[C@@H]1C view concanamycin A
Spirangien A1 13 0.58 0.49 0.67 0.5 6-Ring:2/3 * 5-Ring:0/3 MIBiG Source C/C=C(\C)C[C@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)[C@@H](C)C[C@@H]2O view Spirangien A1
halstoctacosanolide 14 0.57 0.52 0.68 0.29 6-Ring:1/3 * 5-Ring:0/3 MIBiG Source CCC(O)C(C)C(O)CC(O)C(O)/C=C(\C)CC(C)C1CC(O)C(C)/C=C\C=C/CC(C)C(=O)CC2CCC(C)C(O)(C/C=C(C)\C=C(\C)C(O)C(=O)/C=C(/C)C(=O)O1)O2 view halstoctacosanolide
hopene 15 0.56 0.47 0.76 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C=C(C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C view hopene
E-837 16 0.56 0.53 0.72 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C=C(\C)C(O)C(C)/C=C/C=C(\C)CCC(O)CC1=C(C)C(=O)C(C)(O)O1 view E-837
tautomycin 17 0.56 0.48 0.64 0.5 6-Ring:2/3 * 5-Ring:0/3 MIBiG Source CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C view tautomycin
E-975 18 0.55 0.51 0.71 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC/C=C(\C)C(O)C(C)/C=C/C=C/CCC(O)CC1=C(C)C(=O)C(O)(C(C)O)O1 view E-975
E-492 19 0.54 0.5 0.71 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C=C(\C)C(O)C(C)/C=C/C=C/CCC(O)CC1=C(C)C(=O)C(O)(C(C)O)O1 view E-492
filipin 20 0.54 0.5 0.7 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CCCCC[C@@H](O)[C@H]1C(=O)O[C@H](C)[C@@H](O)/C=C\C=C/C=C\C=C/C=C(/C)[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O view filipin
heronamide D 21 0.54 0.5 0.7 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C=C/C=C/CC1C[C@H](O)C2C3/C(C)=C\C4C=C[C@@H](O)[C@@H](O)C4/C(C)=C\C=C/C3C(=O)N12 view heronamide D
FK506 22 0.54 0.47 0.65 0.29 6-Ring:1/3 * 5-Ring:0/3 MIBiG Source C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC view FK506
FK520 23 0.54 0.47 0.65 0.29 6-Ring:1/3 * 5-Ring:0/3 MIBiG Source CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC view FK520
Marneral 24 0.54 0.59 0.64 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCC=O)C(=C(C)C)CC[C@H]1C view Marneral
heronamide B 25 0.53 0.48 0.71 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CCC/C=C/C=C/C[C@@H]1C[C@@H]2/C=C\C(C)=C/[C@@H]3C=C[C@H](O)[C@H](O)[C@H]3/C(C)=C\C=C/[C@H]2C(=O)N1 view heronamide B
Aurafuron A 26 0.53 0.49 0.69 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC1=C(CC(O)/C=C\C=C\C(C)C(O)/C(C)=C/CC(C)C)OC(C)(O)C1=O view Aurafuron A
macrobrevin 27 0.53 0.54 0.66 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CCC(C)C(O)/C=C/C(C)=C/C=C/C(C)CC(C)C1CC(O)C(C)/C=C\C=C/C(C)C/C=C(/C)C(O)/C=C\CC(O)C(C)/C=C\C(=O)O1 view macrobrevin
heronamide A 28 0.52 0.53 0.65 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CCC/C=C/C=C/C[C@@H]1C[C@H](O)C2[C@@H]3/C(C)=C\[C@@H]4C=C[C@H](O)[C@H](O)[C@H]4/C(C)=C\C=C/[C@H]3C(=O)N21 view heronamide A
clavaric acid 29 0.52 0.52 0.65 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)C(=O)C(C)(C)[C@@H]1CC3 view clavaric acid
pladienolide 30 0.52 0.52 0.65 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC[C@H](O)[C@@H](C)[C@H]1O[C@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C\[C@@H]1C view pladienolide
Borrelidin 31 0.5 0.48 0.65 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 view Borrelidin
Cmc-thuggacin A 32 0.49 0.47 0.63 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C=C(C)/C=C(\C)CC(C)C(O)C(O)C1C/C=C\C=C/C(O)CC(O)C(CO)c2nc(cs2)/C=C(/C)C(=O)O1 view Cmc-thuggacin A
patellazole 33 0.49 0.47 0.63 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CCC(C)OC(=O)C1(C)CCC(C)CC(O)C(C)C(=O)C(C)/C=C\CC(C)C(O)C(O)C(OC)/C(C)=C\C=C/C(C)C(C(C)(O)/C=C(/C)Cc2csc(C3(C)OC3C)n2)OC1=O view patellazole
myxovirescin 34 0.49 0.51 0.59 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C\C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O view myxovirescin
Etnangien 35 0.48 0.47 0.61 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source COC1C(C)C(O)CC(=O)OC(C(C)C(O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/CC(O)/C=C(\C)CCC(=O)O)CC(O)CCCC(O)C/C=C\C=C/CC(C)C(O)C1C view Etnangien
cremimycin 36 0.48 0.48 0.6 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CCCCCCC1CC(=O)CCCC(O)CC(=O)C2=C(O)C(OC3CC(OC)C(O)C(C)O3)CC2/C=C(C)\C=C/C=C\C(=O)N1 view cremimycin
corallopyronin 37 0.48 0.5 0.59 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C=C/C/C=C(\C)C(O)CC/C(C)=C/C=C(C)/C(O)=C1/C(=O)C=C([C@H](C)CC/C=C/NC(=O)OC)OC1=O view corallopyronin
Thuggacin A 38 0.48 0.51 0.57 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C=C(C)/C=C(\C)C(O)C(C)[C@@H](O)[C@H](O)[C@@H]1C/C=C\C=C/[C@@H](O)C[C@H](O)[C@@H](C)c2nc(cs2)/C=C(/CCCCCC)C(=O)O1 view Thuggacin A
tautomycetin 39 0.48 0.54 0.56 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C=C/C(=C/C(=O)CC(C)CC(C)CCC(O)C(C)C(=O)CC(O)C(C)C(C)OC(=O)CC(O)C1=C(C)C(=O)OC1=O)CC view tautomycetin
carotenoid 41 0.47 0.47 0.59 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC(C)=CCCC(C)CCC[C@H](C)CCCC(C)CCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O view carotenoid
8,9-dihydro-9R-hydroxy-LTM 42 0.47 0.47 0.58 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\C[C@@H](O)[C@@H]1C view 8,9-dihydro-9R-hydroxy-LTM
mycolactone 43 0.47 0.53 0.54 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C1=C/C[C@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)OC(=O)CCC[C@H](OC(=O)/C=C/C(C)=C/C(C)=C/C=C/C(C)=C/[C@H](O)[C@@H](O)C[C@H](C)O)[C@@H](C)C1 view mycolactone
Dawenol 44 0.46 0.47 0.57 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C/C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C(C)=C\C(C)C(O)C(C)C(C)OC(C)=O view Dawenol
Kalimantacin A 45 0.46 0.47 0.56 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C=C(CCC=CC=CCC(C)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O)CC(C)CC(C)=CC(=O)O view Kalimantacin A
vicenistatin 46 0.44 0.48 0.53 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CN[C@H]1[C@@H](O)C[C@H](O[C@H]2C/C=C(/C)C/C(C)=C\C=C/CC[C@H](C)CNC(=O)/C=C\C=C/[C@@H]2C)O[C@@H]1C view vicenistatin
zeaxanthin 47 0.44 0.47 0.53 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 view zeaxanthin
Jamaicamide b 48 0.37 0.47 0.38 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C#CCCC/C(=C\Cl)CCC(C)/C=C/CCC(=O)NCC/C(=C\C(=O)N1C(=O)C=C[C@@H]1C)OC view Jamaicamide b
jamaicamide c 49 0.36 0.47 0.37 0.0 6-Ring:0/3 * 5-Ring:0/3 MIBiG Source C=CCCC/C(=C\Cl)CCC(C)/C=C/CCC(=O)NCC/C(=C\C(=O)N1C(=O)C=C[C@@H]1C)OC view jamaicamide c

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