This site makes heavy use of Javascript.

In your browser, Javascript is either unsupported or deactivated. To make full use of this site, please either update your browser to a current version or activate Javascript. Also consider deactivating browser addons that can intefere with script execution for this site, such as NoScript for Firefox.

Overview

Back to overview

Cluster browser

Open cluster browser

Domains

Show domain summary

Modify scaffold

Rerun the scoring with custom input

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

Phosphinothricintripeptide 0 0.6 0.36 0.67 1.0 Non detected. MIBiG Source CP(=O)([O-])CCC([NH3+])C(=O)[O-] view Phosphinothricintripeptide
2-methylisoborneol 1 0.59 0.38 0.64 1.0 Non detected. MIBiG Source CC1(O)CC2CCC1(C)C2(C)C view 2-methylisoborneol
ectoine 2 0.58 0.3 0.68 1.0 Non detected. MIBiG Source CC1=NCC[C@@H](C(=O)O)N1 view ectoine
fusaric acid 3 0.56 0.31 0.63 1.0 Non detected. MIBiG Source CCCCc1ccc(C(=O)O)nc1 view fusaric acid
citrulline 4 0.55 0.27 0.65 1.0 Non detected. MIBiG Source NC(=O)NCCC[C@H](N)C(=O)O view citrulline
desosamine 5 0.55 0.26 0.65 1.0 Non detected. MIBiG Source C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](O)O1 view desosamine
2-hydroxyethylclavam 6 0.55 0.26 0.65 1.0 Non detected. MIBiG Source O=C1C[C@@H]2O[C@@H](CCO)CN12 view 2-hydroxyethylclavam
desosamine 7 0.55 0.26 0.65 1.0 Non detected. MIBiG Source CC1CC(N(C)C)C(O)C(O)O1 view desosamine
geosmin 8 0.55 0.3 0.63 1.0 Non detected. MIBiG Source C[C@H]1CCC[C@@]2(C)CCCC[C@]12O view geosmin
2-deoxystreptamine 9 0.54 0.23 0.66 1.0 Non detected. MIBiG Source NC1CC(N)C(O)C(O)C1O view 2-deoxystreptamine
3-methylarginine 10 0.54 0.26 0.64 1.0 Non detected. MIBiG Source CC(CC[NH+]=C(N)N)C([NH3+])C(=O)[O-] view 3-methylarginine
asperlactone 11 0.53 0.25 0.63 1.0 Non detected. MIBiG Source C[C@@H]1O[C@H]1C1=C[C@H]([C@H](C)O)OC1=O view asperlactone
Homoanatoxin-a 12 0.53 0.25 0.63 1.0 Non detected. MIBiG Source CCC(=O)C1=CCC[C@@H]2CC[C@H]1N2 view Homoanatoxin-a
2,4-Diacetylphloroglucinol 13 0.52 0.23 0.62 1.0 Non detected. MIBiG Source CC(=O)c1c(O)cc(O)c(C(C)=O)c1O view 2,4-Diacetylphloroglucinol
Anatoxin-a 25 0.5 0.27 0.55 1.0 Non detected. MIBiG Source CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 view Anatoxin-a
coronafacic acid 14 0.52 0.24 0.61 1.0 Non detected. MIBiG Source CC[C@H]1C=C(C(=O)O)[C@H]2CCC(=O)[C@H]2C1 view coronafacic acid
2-amino-4-methoxy-trans-3-butenoic acid 15 0.52 0.23 0.61 1.0 Non detected. MIBiG Source CO/C=C/[C@H](N)C(=O)O view 2-amino-4-methoxy-trans-3-butenoic acid
Photopyrone A 16 0.52 0.26 0.6 1.0 Non detected. MIBiG Source CCCCCCc1c(O)cc(CC(C)C)oc1=O view Photopyrone A
2,5-dialkylresorcinols 17 0.52 0.26 0.6 1.0 Non detected. MIBiG Source CC(C)CCCc1cc(O)c(C(C)C)c(O)c1 view 2,5-dialkylresorcinols
SCB1 18 0.52 0.25 0.6 1.0 Non detected. MIBiG Source CC(C)CCCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO view SCB1
A-factor 19 0.52 0.25 0.6 1.0 Non detected. MIBiG Source CC(C)CCCCC(=O)C1C(=O)OC[C@H]1CO view A-factor
SCB2 20 0.52 0.24 0.6 1.0 Non detected. MIBiG Source CCCCCCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO view SCB2
SCB3 21 0.51 0.23 0.6 1.0 Non detected. MIBiG Source CCC(C)CCCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO view SCB3
Photopyrone C 22 0.51 0.24 0.59 1.0 Non detected. MIBiG Source CCCCCCCCc1c(O)cc(CC(C)C)oc1=O view Photopyrone C
Photopyrone B 23 0.51 0.23 0.59 1.0 Non detected. MIBiG Source CC(C)CCCCc1c(O)cc(CC(C)C)oc1=O view Photopyrone B
terrein 24 0.5 0.24 0.56 1.0 Non detected. MIBiG Source C/C=C/C1=CC(=O)[C@@H](O)[C@@H]1O view terrein
methylenomycin 26 0.5 0.27 0.54 1.0 Non detected. MIBiG Source C=C1C(=O)C2(C)OC2(C)C1C(=O)O view methylenomycin
beta-trans-bergamotene 27 0.5 0.28 0.53 1.0 Non detected. MIBiG Source C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C view beta-trans-bergamotene
Fosfomycin 28 0.5 0.33 0.5 1.0 Non detected. MIBiG Source C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Na+].[Na+] view Fosfomycin
terreic acid 29 0.49 0.22 0.56 1.0 Non detected. MIBiG Source CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O view terreic acid
shanorellin 30 0.49 0.25 0.54 1.0 Non detected. MIBiG Source CC1=C(O)C(C)=C(CO)C(=O)C1=O view shanorellin
4-deoxygadusol 31 0.49 0.25 0.54 1.0 Non detected. MIBiG Source COC1=C(O)C[C@@](O)(CO)CC1=O view 4-deoxygadusol
Argimycin PIX 32 0.49 0.25 0.54 1.0 Non detected. MIBiG Source C/C=C/C=C/CCC1CCCCN1 view Argimycin PIX
Argimycin PIII 33 0.49 0.25 0.54 1.0 Non detected. MIBiG Source C/C=C/C=C/C=C/C1=NCCCC1 view Argimycin PIII
(-)-delta-cadinene 34 0.49 0.27 0.53 1.0 Non detected. MIBiG Source CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)CC1 view (-)-delta-cadinene
(+)-eremophilene 35 0.49 0.27 0.53 1.0 Non detected. MIBiG Source C=C(C)C1CCC2=CCCC(C)C2(C)C1 view (+)-eremophilene
Argimycin PVI 36 0.48 0.24 0.54 1.0 Non detected. MIBiG Source C/C=C/C=C1\C=C[C@@H]2NCCC[C@H]12 view Argimycin PVI
thiolactomycin 37 0.48 0.24 0.54 1.0 Non detected. MIBiG Source C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1O view thiolactomycin
Argimycin PV 38 0.48 0.23 0.53 1.0 Non detected. MIBiG Source C/C=C/C=C1\C=C[C@@H]2NCCC[C@]12O view Argimycin PV
(+)-T-muurolol 39 0.48 0.26 0.52 1.0 Non detected. MIBiG Source CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@](C)(O)[C@@H]2CC1 view (+)-T-muurolol
albaflavenone 40 0.48 0.25 0.52 1.0 Non detected. MIBiG Source CC1=C2C(=O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C view albaflavenone
FR900098 41 0.48 0.33 0.47 1.0 Non detected. MIBiG Source CC(=O)N(O)CCCP(=O)(O)O view FR900098
1-heptadecene 42 0.47 0.23 0.52 1.0 Non detected. MIBiG Source C=CCCCCCCCCCCCCCCC view 1-heptadecene
Tu 3010 43 0.47 0.25 0.51 1.0 Non detected. MIBiG Source C=C/C(C)=C/[C@@]1(CC(N)=O)SC(=O)C(CC)=C1O view Tu 3010
U-68204 44 0.47 0.25 0.51 1.0 Non detected. MIBiG Source C=C/C(C)=C/[C@@]1(CC)SC(=O)C(CC(N)=O)=C1O view U-68204
apotrichodiol 45 0.47 0.23 0.51 1.0 Non detected. MIBiG Source CC1=C[C@@H]2O[C@]3(CO)C[C@H](O)C[C@]3(C)[C@@]2(C)CC1 view apotrichodiol
2-Hydroxymethylclavam 46 0.47 0.29 0.48 1.0 Non detected. MIBiG Source O=C1C[C@@H]2O[C@@H](CO)CN12 view 2-Hydroxymethylclavam
isotrichotriol 47 0.46 0.23 0.5 1.0 Non detected. MIBiG Source CC1=CC(O)[C@@](C)([C@@]2(C)C[C@@H](O)[C@@H](O)C23CO3)CC1 view isotrichotriol
Clavam-2-carboxylate 48 0.46 0.27 0.47 1.0 Non detected. MIBiG Source O=C(O)[C@H]1CN2C(=O)C[C@@H]2O1 view Clavam-2-carboxylate
2-Formyloxymethylclavam 49 0.44 0.24 0.46 1.0 Non detected. MIBiG Source O=COC[C@H]1CN2C(=O)C[C@@H]2O1 view 2-Formyloxymethylclavam

© 2018 Pharmaceutical Bioinformatics