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Cluster scaffolds:

2

1

Putative metabolites:

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

Xenocyloin B 4 0.68 0.44 0.77 1.0 Non detected. MIBiG Source CCC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 view Xenocyloin B
K1115A 39 0.6 0.41 0.65 1.0 Non detected. MIBiG Source CCCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O view K1115A
desmethylbassianin 40 0.6 0.41 0.65 1.0 Non detected. MIBiG Source CC[C@@H](C)/C=C/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O view desmethylbassianin
atromentin 41 0.6 0.39 0.65 1.0 Non detected. MIBiG Source O=C1C(O)=C(c2ccc(O)cc2)C(=O)C(O)=C1c1ccc(O)cc1 view atromentin
haliamide 42 0.6 0.41 0.64 1.0 Non detected. MIBiG Source C=CC(C)C/C(C)=C/C=C/C(C)NC(=O)c1ccccc1 view haliamide
Tetarimycin B 43 0.59 0.38 0.65 1.0 Non detected. MIBiG Source CC1(O)CC(O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc(O)cc1C3(C)C view Tetarimycin B
nogalonic acid methyl ester 44 0.59 0.38 0.64 1.0 Non detected. MIBiG Source COC(=O)Cc1cc2c(c(O)c1C(=O)CC(C)=O)C(=O)c1c(O)cccc1C2=O view nogalonic acid methyl ester
1,8-dihydroxynaphthalene 2 0.69 0.47 0.78 1.0 Non detected. MIBiG Source Oc1cccc2cccc(O)c12 view 1,8-dihydroxynaphthalene
2,5-dialkylresorcinols 0 0.73 0.55 0.8 1.0 Non detected. MIBiG Source CC(C)CCCc1cc(O)c(C(C)C)c(O)c1 view 2,5-dialkylresorcinols
pyoluteorin 1 0.69 0.41 0.82 1.0 Non detected. MIBiG Source O=C(c1cc(Cl)c(Cl)[nH]1)c1c(O)cccc1O view pyoluteorin
Xenocyloin A 3 0.68 0.44 0.79 1.0 Non detected. MIBiG Source CC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 view Xenocyloin A
isopropylstilbene 5 0.68 0.47 0.75 1.0 Non detected. MIBiG Source CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O view isopropylstilbene
aspyridone A 6 0.66 0.48 0.71 1.0 Non detected. MIBiG Source CC[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O view aspyridone A
thalnumycin A 7 0.66 0.5 0.69 1.0 Non detected. MIBiG Source CCC1C(=O)c2c(cc3cccc(O)c3c2O)CC1(C)O view thalnumycin A
1,6-dihydro-8-propylanthraquinone 8 0.65 0.43 0.72 1.0 Non detected. MIBiG Source CCCc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=O view 1,6-dihydro-8-propylanthraquinone
thalnumycin B 9 0.65 0.47 0.7 1.0 Non detected. MIBiG Source CCC1C(=O)c2c(cc3c(O)ccc(O)c3c2O)CC1(C)O view thalnumycin B
Xenocyloin C 10 0.64 0.4 0.74 1.0 Non detected. MIBiG Source CC(=O)O[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(C)C view Xenocyloin C
Fluostatin F 11 0.64 0.39 0.74 1.0 Non detected. MIBiG Source CO[C@@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@@]2(C)O[C@@H]12 view Fluostatin F
Fluostatin G 12 0.64 0.39 0.74 1.0 Non detected. MIBiG Source CO[C@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@]2(C)O[C@H]12 view Fluostatin G
dhurrin 13 0.64 0.39 0.74 1.0 Non detected. MIBiG Source N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 view dhurrin
nogalonic acid 45 0.58 0.39 0.62 1.0 Non detected. MIBiG Source CC(=O)CC(=O)c1c(CC(=O)O)cc2c(c1O)C(=O)c1c(O)cccc1C2=O view nogalonic acid
Photopyrone B 14 0.64 0.41 0.73 1.0 Non detected. MIBiG Source CC(C)CCCCc1c(O)cc(CC(C)C)oc1=O view Photopyrone B
naringenin 15 0.64 0.39 0.73 1.0 Non detected. MIBiG Source O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 view naringenin
Xenocyloin D 16 0.64 0.4 0.72 1.0 Non detected. MIBiG Source CCC(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)OC(C)=O view Xenocyloin D
Xenocoumacin II 17 0.64 0.4 0.72 1.0 Non detected. MIBiG Source CC(C)CC(NC(=O)C(O)C(O)C1CCCN1)C1Cc2cccc(O)c2C(=O)O1 view Xenocoumacin II
Rishirilide B 18 0.64 0.43 0.71 1.0 Non detected. MIBiG Source CC(C)CCC1(O)c2cc3c(O)cccc3cc2C(=O)C(C)C1(O)C(=O)O view Rishirilide B
myxochelin B 19 0.64 0.45 0.69 1.0 Non detected. MIBiG Source NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O view myxochelin B
AQ-270a 20 0.63 0.38 0.73 1.0 Non detected. MIBiG Source COc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=O view AQ-270a
Obafluorin 21 0.63 0.38 0.72 1.0 Non detected. MIBiG Source O=C(N[C@@H]1C(=O)O[C@@H]1Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O view Obafluorin
monodictyphenone 22 0.63 0.38 0.72 1.0 Non detected. MIBiG Source Cc1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)O)c1 view monodictyphenone
vanchrobactin 23 0.63 0.39 0.71 1.0 Non detected. MIBiG Source NC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)O view vanchrobactin
dihydroxy tilivalline 24 0.63 0.39 0.71 1.0 Non detected. MIBiG Source O=C1c2cc(O)cc(O)c2N[C@@H](c2c[nH]c3ccccc23)[C@@H]2CCCN12 view dihydroxy tilivalline
dihydroxy-dehydro tilivallin 25 0.63 0.39 0.71 1.0 Non detected. MIBiG Source O=C1c2cc(O)cc(O)c2N[C@@H](c2c[nH]c3ccccc23)[C@@H]2CC=CN12 view dihydroxy-dehydro tilivallin
myxochelin A 26 0.63 0.42 0.69 1.0 Non detected. MIBiG Source O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(O)c1O)c1cccc(O)c1O view myxochelin A
(-)-Mellein 27 0.63 0.43 0.68 1.0 Non detected. MIBiG Source C[C@@H]1Cc2cccc(O)c2C(=O)O1 view (-)-Mellein
12-epi-fischerindole U 28 0.62 0.38 0.71 1.0 Non detected. MIBiG Source [C-]#[N+][C@@H]1[C@@H]2c3c([nH]c4ccccc34)C(C)(C)[C@H]2CC[C@@]1(C)C=C view 12-epi-fischerindole U
flaviolin 29 0.62 0.39 0.7 1.0 Non detected. MIBiG Source O=C1C=C(O)c2c(O)cc(O)cc2C1=O view flaviolin
Photopyrone D 30 0.62 0.38 0.7 1.0 Non detected. MIBiG Source CC(C)CCCCCCc1c(O)cc(CC(C)C)oc1=O view Photopyrone D
Fluostatin H 31 0.62 0.39 0.69 1.0 Non detected. MIBiG Source CCCC(C)C(=O)O[C@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@]2(C)O[C@H]12 view Fluostatin H
Photopyrone A 32 0.62 0.4 0.68 1.0 Non detected. MIBiG Source CCCCCCc1c(O)cc(CC(C)C)oc1=O view Photopyrone A
Xenocoumacin 1 33 0.61 0.38 0.69 1.0 Non detected. MIBiG Source CC(C)CC(NC(=O)C(O)C(O)C(N)CCCN=C(N)N)C1Cc2cccc(O)c2C(=O)O1 view Xenocoumacin 1
rabelomycin 34 0.61 0.41 0.67 1.0 Non detected. MIBiG Source C[C@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 view rabelomycin
UWM6 35 0.61 0.41 0.67 1.0 Non detected. MIBiG Source C[C@]1(O)CC(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 view UWM6
marinophenazine B 36 0.6 0.38 0.66 1.0 Non detected. MIBiG Source CC(C)=CCC/C(C)=C/COc1cccc2nc3c(O)cccc3nc12 view marinophenazine B
dehydrocurvularin 37 0.6 0.38 0.66 1.0 Non detected. MIBiG Source C[C@H]1CCC/C=C\C(=O)c2c(O)cc(O)cc2CC(=O)O1 view dehydrocurvularin
prejadomycin 38 0.6 0.41 0.65 1.0 Non detected. MIBiG Source CC1=CC(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 view prejadomycin
2,4-Diacetylphloroglucinol 46 0.58 0.44 0.58 1.0 Non detected. MIBiG Source CC(=O)c1c(O)cc(O)c(C(C)=O)c1O view 2,4-Diacetylphloroglucinol
gaudimycin D 47 0.57 0.38 0.61 1.0 Non detected. MIBiG Source C[C@H]1O[C@@H](O[C@](C)(CC(=O)O)Cc2ccc3c(c2O)C(=O)c2cccc(O)c2C3=O)CC[C@@H]1N view gaudimycin D
6-methylsalicyclic acid 48 0.56 0.4 0.56 1.0 Non detected. MIBiG Source Cc1cccc(O)c1C(=O)O view 6-methylsalicyclic acid
Orsellinic acid 49 0.53 0.38 0.53 1.0 Non detected. MIBiG Source Cc1cc(O)cc(O)c1C(=O)O view Orsellinic acid

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