Natural Product: NPC207657

Natural Product ID:  NPC207657
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C18H37NO6S
Standard InCHIKey:  AMKJRXWVNVNVKO-WHTXQBFGSA-N
Standard InCHI:  InChI=1S/C18H37NO6S/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(25-26(22,23)24)18(21)16(19)14-20/h9,11,15-18,20-21H,3-8,10,12-14,19H2,1-2H3,(H,22,23,24)/b11-9+/t16-,17+,18-/m1/s1
Canonical SMILES:  OC[C@H]([C@H]([C@@H](OS(=O)(=O)O)C/C=C/CCCCCCCCC(C)C)O)N
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO85 Spirastrella abata Species Spirastrellidae Eukaryota PMID[22182501]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC > 100 ug/ml 25237727
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 100 ug/ml 25314007
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 100 ug/ml 10.1007/s00044-011-9951-3
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 100 ug/ml 10.1007/s00044-011-9964-y
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC > 100 ug/ml 23145909
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 23145909
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 100 ug/ml 16643036
NPT2 Others Unspecified IC50 = 24000 nM 9873651
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 10.1016/S0960-894X(97)10154-8
NPT111 Cell Line K562 Homo sapiens LC50 = 8000 nM 18993063
NPT2 Others Unspecified IC50 = 21000 nM 25226228
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 21377877
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC = 100 ug/ml 25443644

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC207657 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9324 High Similarity NPC212008
0.9324 High Similarity NPC51055
0.9324 High Similarity NPC140327
0.9324 High Similarity NPC62293
0.7763 Intermediate Similarity NPC113224
0.7674 Intermediate Similarity NPC477199
0.7654 Intermediate Similarity NPC3094
0.7467 Intermediate Similarity NPC47333
0.7229 Intermediate Similarity NPC217095
0.7229 Intermediate Similarity NPC264417
0.7209 Intermediate Similarity NPC79367
0.7143 Intermediate Similarity NPC55068
0.7111 Intermediate Similarity NPC258824
0.6933 Remote Similarity NPC168308
0.6933 Remote Similarity NPC302569
0.68 Remote Similarity NPC8979
0.6747 Remote Similarity NPC324638
0.6705 Remote Similarity NPC314762
0.6591 Remote Similarity NPC475363
0.6591 Remote Similarity NPC473971
0.6591 Remote Similarity NPC473972
0.6512 Remote Similarity NPC288086
0.6494 Remote Similarity NPC52012
0.6471 Remote Similarity NPC477198
0.6447 Remote Similarity NPC281590
0.6413 Remote Similarity NPC228638
0.6404 Remote Similarity NPC474833
0.6395 Remote Similarity NPC314678
0.6386 Remote Similarity NPC195165
0.6381 Remote Similarity NPC315531
0.6267 Remote Similarity NPC123814
0.625 Remote Similarity NPC316186
0.6235 Remote Similarity NPC103712
0.6235 Remote Similarity NPC291196
0.6211 Remote Similarity NPC477387
0.6211 Remote Similarity NPC477389
0.6207 Remote Similarity NPC26932
0.6204 Remote Similarity NPC477997
0.62 Remote Similarity NPC471635
0.62 Remote Similarity NPC25033
0.62 Remote Similarity NPC476261
0.62 Remote Similarity NPC119225
0.62 Remote Similarity NPC470382
0.6173 Remote Similarity NPC17455
0.6163 Remote Similarity NPC477200
0.6136 Remote Similarity NPC78562
0.6136 Remote Similarity NPC473588
0.6125 Remote Similarity NPC122239
0.6118 Remote Similarity NPC273508
0.6118 Remote Similarity NPC209327
0.6061 Remote Similarity NPC475603
0.6061 Remote Similarity NPC61894
0.6058 Remote Similarity NPC316250
0.6053 Remote Similarity NPC474322
0.6053 Remote Similarity NPC313802
0.6053 Remote Similarity NPC67917
0.6053 Remote Similarity NPC314268
0.6053 Remote Similarity NPC477515
0.6026 Remote Similarity NPC227135
0.6023 Remote Similarity NPC305223
0.602 Remote Similarity NPC159369
0.602 Remote Similarity NPC39290
0.6 Remote Similarity NPC226848
0.6 Remote Similarity NPC163290
0.6 Remote Similarity NPC73603
0.5977 Remote Similarity NPC476696
0.5977 Remote Similarity NPC474674
0.5977 Remote Similarity NPC476695
0.5977 Remote Similarity NPC476694
0.5962 Remote Similarity NPC135799
0.5943 Remote Similarity NPC55336
0.5926 Remote Similarity NPC319131
0.5926 Remote Similarity NPC473866
0.5926 Remote Similarity NPC313272
0.5926 Remote Similarity NPC326524
0.5926 Remote Similarity NPC475931
0.5926 Remote Similarity NPC278202
0.5926 Remote Similarity NPC329003
0.5926 Remote Similarity NPC325550
0.5926 Remote Similarity NPC319537
0.5922 Remote Similarity NPC474164
0.5888 Remote Similarity NPC477000
0.5888 Remote Similarity NPC477001
0.5882 Remote Similarity NPC267027
0.5882 Remote Similarity NPC311736
0.5882 Remote Similarity NPC250977
0.5882 Remote Similarity NPC272125
0.5875 Remote Similarity NPC121034
0.5865 Remote Similarity NPC315170
0.5862 Remote Similarity NPC474675
0.5862 Remote Similarity NPC127145
0.5862 Remote Similarity NPC475930
0.5862 Remote Similarity NPC137620
0.5849 Remote Similarity NPC176012
0.5847 Remote Similarity NPC315783
0.5843 Remote Similarity NPC476709
0.5833 Remote Similarity NPC475918
0.5825 Remote Similarity NPC475503
0.5824 Remote Similarity NPC477925
0.5824 Remote Similarity NPC274079
0.5816 Remote Similarity NPC470282
0.5814 Remote Similarity NPC193029
0.5814 Remote Similarity NPC473357
0.5814 Remote Similarity NPC472255
0.5814 Remote Similarity NPC472253
0.5806 Remote Similarity NPC476701
0.5804 Remote Similarity NPC279383
0.5804 Remote Similarity NPC1111
0.5804 Remote Similarity NPC261750
0.5804 Remote Similarity NPC273215
0.5804 Remote Similarity NPC268327
0.5804 Remote Similarity NPC295444
0.5802 Remote Similarity NPC321030
0.5802 Remote Similarity NPC181872
0.58 Remote Similarity NPC319021
0.58 Remote Similarity NPC477866
0.58 Remote Similarity NPC477865
0.5795 Remote Similarity NPC470041
0.5795 Remote Similarity NPC189745
0.5789 Remote Similarity NPC477390
0.5789 Remote Similarity NPC477385
0.5789 Remote Similarity NPC474312
0.5784 Remote Similarity NPC262312
0.5784 Remote Similarity NPC35269
0.5784 Remote Similarity NPC23454
0.5784 Remote Similarity NPC70323
0.5783 Remote Similarity NPC64971
0.5783 Remote Similarity NPC145627
0.5783 Remote Similarity NPC475251
0.5783 Remote Similarity NPC274704
0.5783 Remote Similarity NPC321838
0.578 Remote Similarity NPC315426
0.5778 Remote Similarity NPC471525
0.5769 Remote Similarity NPC140300
0.5765 Remote Similarity NPC471200
0.5765 Remote Similarity NPC308844
0.5761 Remote Similarity NPC477924
0.5761 Remote Similarity NPC476703
0.5758 Remote Similarity NPC34754
0.5755 Remote Similarity NPC118275
0.5755 Remote Similarity NPC474873
0.5747 Remote Similarity NPC268922
0.5747 Remote Similarity NPC23721
0.5743 Remote Similarity NPC282705
0.5743 Remote Similarity NPC182632
0.5741 Remote Similarity NPC74035
0.5733 Remote Similarity NPC29222
0.5733 Remote Similarity NPC121062
0.5733 Remote Similarity NPC96966
0.573 Remote Similarity NPC474468
0.5729 Remote Similarity NPC320936
0.5714 Remote Similarity NPC29501
0.5714 Remote Similarity NPC476924
0.5714 Remote Similarity NPC279200
0.5699 Remote Similarity NPC475980
0.5698 Remote Similarity NPC129995
0.5698 Remote Similarity NPC326310
0.5698 Remote Similarity NPC137163
0.5698 Remote Similarity NPC315141
0.5684 Remote Similarity NPC474894
0.5684 Remote Similarity NPC82799
0.5682 Remote Similarity NPC472947
0.5682 Remote Similarity NPC16964
0.5682 Remote Similarity NPC101622
0.5682 Remote Similarity NPC473710
0.5682 Remote Similarity NPC304690
0.5682 Remote Similarity NPC74722
0.5682 Remote Similarity NPC475694
0.5682 Remote Similarity NPC239373
0.5682 Remote Similarity NPC329989
0.5678 Remote Similarity NPC314293
0.5676 Remote Similarity NPC474891
0.5673 Remote Similarity NPC189629
0.5673 Remote Similarity NPC45313
0.5664 Remote Similarity NPC314306
0.5664 Remote Similarity NPC60432
0.5663 Remote Similarity NPC99487
0.5663 Remote Similarity NPC258788
0.5657 Remote Similarity NPC324506
0.5652 Remote Similarity NPC170148
0.5652 Remote Similarity NPC470899
0.5648 Remote Similarity NPC476877
0.5648 Remote Similarity NPC98765
0.5647 Remote Similarity NPC300593
0.5647 Remote Similarity NPC290367
0.5644 Remote Similarity NPC209047
0.5644 Remote Similarity NPC242503
0.5644 Remote Similarity NPC84171
0.5644 Remote Similarity NPC139782
0.5644 Remote Similarity NPC74672
0.5644 Remote Similarity NPC43074
0.5632 Remote Similarity NPC471418
0.5631 Remote Similarity NPC3568
0.5631 Remote Similarity NPC17290
0.5631 Remote Similarity NPC256570
0.5631 Remote Similarity NPC192066
0.5625 Remote Similarity NPC122926
0.5625 Remote Similarity NPC242930
0.5625 Remote Similarity NPC329686
0.5625 Remote Similarity NPC113012

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC207657 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7143 Intermediate Similarity NPD3210 Clinical (unspecified phase)
0.6747 Remote Similarity NPD3212 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3732 Approved
0.6267 Remote Similarity NPD3215 Phase 1
0.6 Remote Similarity NPD3214 Discontinued
0.5948 Remote Similarity NPD8444 Approved
0.5847 Remote Similarity NPD7829 Approved
0.5847 Remote Similarity NPD7830 Approved
0.573 Remote Similarity NPD3187 Discontinued
0.5688 Remote Similarity NPD5357 Phase 1
0.5664 Remote Similarity NPD6430 Approved
0.5664 Remote Similarity NPD6429 Approved
0.5644 Remote Similarity NPD8522 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6421 Discontinued
0.5614 Remote Similarity NPD3731 Phase 3

Structure

External Identifiers

PubChem CID   57401153;56950785
ChEMBL   CHEMBL1938695
ZINC  

Physicochemical Properties

Molecular Weight:  395.23
ALogP:  -2.2397
MLogP:  2.56
XLogP:  3.153
# Rotatable Bonds:  22
Polar Surface Area:  138.46
# H-Bond Aceptor:  7
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs