Natural Product: NPC315188

Natural Product ID:  NPC315188
Common Name:   Laspartomycin C
IUPAC Name:  
Synonyms:   Laspartomycin C
Molecular Formula:   C57H90N12O19
Standard InCHIKey:  JHAQMJWHVDTRJM-SYLLVDSQSA-N
Standard InCHI:  InChI=1S/C57H90N12O19/c1-6-33(4)48-57(88)69-24-18-21-40(69)53(84)58-28-38(65-52(83)37(27-47(79)80)62-41(71)22-15-13-11-9-7-8-10-12-14-19-32(2)3)56(87)68-23-17-16-20-39(68)54(85)61-30-43(73)64-35(25-45(75)76)50(81)59-29-42(72)63-36(26-46(77)78)51(82)60-31-44(74)66-49(34(5)70)55(86)67-48/h15,22,32-40,48-49,70H,6-14,16-21,23-31H2,1-5H3,(H,58,84)(H,59,81)(H,60,82)(H,61,85)(H,62,71)(H,63,72)(H,64,73)(H,65,83)(H,66,74)(H,67,86)(H,75,76)(H,77,78)(H,79,80)/b22-15+/t33-,34-,35+,36+,37+,38+,39+,40+,48+,49+/m1/s1
Canonical SMILES:  CC[C@H]([C@@H]1N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CC(=O)O)N=C(O)CN=C(O)[C@@H](N=C(CN=C([C@H]2N(C(=O)[C@H](CN=C([C@H]3N(C1=O)CCC3)O)N=C([C@@H](N=C(/C=C/CCCCCCCCCC(C)C)O)CC(=O)O)O)CCCC2)O)O)CC(=O)O)[C@H](O)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   BGC0000379 ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO1466.13 Streptomyces viridochromogenes var. komabensis Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 2 ug/ml 17323996

  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 NPC315188 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
0.807 Intermediate Similarity NPC476877
0.8051 Intermediate Similarity NPC476875
0.7931 Intermediate Similarity NPC476876
0.7797 Intermediate Similarity NPC207820
0.7581 Intermediate Similarity NPC329216
0.75 Intermediate Similarity NPC296043
0.75 Intermediate Similarity NPC171734
0.748 Intermediate Similarity NPC160688
0.7402 Intermediate Similarity NPC470652
0.7308 Intermediate Similarity NPC470650
0.7308 Intermediate Similarity NPC470654
0.7308 Intermediate Similarity NPC470653
0.7227 Intermediate Similarity NPC475149
0.7227 Intermediate Similarity NPC471097
0.7154 Intermediate Similarity NPC273185
0.7143 Intermediate Similarity NPC472536
0.7143 Intermediate Similarity NPC103391
0.7143 Intermediate Similarity NPC188785
0.7119 Intermediate Similarity NPC475758
0.7099 Intermediate Similarity NPC50520
0.7059 Intermediate Similarity NPC13175
0.7059 Intermediate Similarity NPC475791
0.7015 Intermediate Similarity NPC470655
0.7015 Intermediate Similarity NPC470651
0.6992 Remote Similarity NPC309525
0.6939 Remote Similarity NPC475168
0.6939 Remote Similarity NPC7817
0.6875 Remote Similarity NPC476978
0.6864 Remote Similarity NPC469739
0.6861 Remote Similarity NPC120335
0.6833 Remote Similarity NPC220234
0.6825 Remote Similarity NPC251122
0.6807 Remote Similarity NPC134504
0.6807 Remote Similarity NPC47076
0.6806 Remote Similarity NPC142761
0.68 Remote Similarity NPC470902
0.6781 Remote Similarity NPC314358
0.6761 Remote Similarity NPC471265
0.6761 Remote Similarity NPC471264
0.6713 Remote Similarity NPC315210
0.6713 Remote Similarity NPC315848
0.6712 Remote Similarity NPC316008
0.6712 Remote Similarity NPC313867
0.6696 Remote Similarity NPC324506
0.6667 Remote Similarity NPC477237
0.6667 Remote Similarity NPC473597
0.6667 Remote Similarity NPC163392
0.6667 Remote Similarity NPC197743
0.6667 Remote Similarity NPC297145
0.6667 Remote Similarity NPC471202
0.6667 Remote Similarity NPC36254
0.6667 Remote Similarity NPC239762
0.6667 Remote Similarity NPC287401
0.6667 Remote Similarity NPC63191
0.6644 Remote Similarity NPC315283
0.6644 Remote Similarity NPC2501
0.6644 Remote Similarity NPC314388
0.6642 Remote Similarity NPC329919
0.6642 Remote Similarity NPC477793
0.664 Remote Similarity NPC241394
0.6618 Remote Similarity NPC6975
0.6618 Remote Similarity NPC46427
0.661 Remote Similarity NPC471098
0.661 Remote Similarity NPC173763
0.661 Remote Similarity NPC62263
0.6599 Remote Similarity NPC5620
0.6599 Remote Similarity NPC477519
0.6597 Remote Similarity NPC92784
0.6597 Remote Similarity NPC470884
0.6597 Remote Similarity NPC178662
0.6597 Remote Similarity NPC476133
0.6597 Remote Similarity NPC98424
0.6589 Remote Similarity NPC314550
0.6584 Remote Similarity NPC477462
0.6581 Remote Similarity NPC474593
0.6581 Remote Similarity NPC475801
0.6567 Remote Similarity NPC477238
0.656 Remote Similarity NPC205176
0.656 Remote Similarity NPC128303
0.6557 Remote Similarity NPC475440
0.6547 Remote Similarity NPC319766
0.6544 Remote Similarity NPC252878
0.6532 Remote Similarity NPC5864
0.6532 Remote Similarity NPC301148
0.6532 Remote Similarity NPC124554
0.6525 Remote Similarity NPC474576
0.6525 Remote Similarity NPC130309
0.6518 Remote Similarity NPC476302
0.6513 Remote Similarity NPC473341
0.6513 Remote Similarity NPC122590
0.6507 Remote Similarity NPC269398
0.6507 Remote Similarity NPC263493
0.65 Remote Similarity NPC475123
0.65 Remote Similarity NPC475204
0.6486 Remote Similarity NPC322878
0.6486 Remote Similarity NPC209509
0.6471 Remote Similarity NPC202521
0.6467 Remote Similarity NPC240848
0.6463 Remote Similarity NPC77905
0.646 Remote Similarity NPC184473
0.6457 Remote Similarity NPC271562
0.6449 Remote Similarity NPC262880
0.6449 Remote Similarity NPC247902
0.6447 Remote Similarity NPC314050
0.6447 Remote Similarity NPC162104
0.6447 Remote Similarity NPC315809
0.6438 Remote Similarity NPC476259
0.6429 Remote Similarity NPC41162
0.6429 Remote Similarity NPC124549
0.6429 Remote Similarity NPC476137
0.6429 Remote Similarity NPC476117
0.6429 Remote Similarity NPC476243
0.6429 Remote Similarity NPC476156
0.6424 Remote Similarity NPC129666
0.6419 Remote Similarity NPC52748
0.6406 Remote Similarity NPC67009
0.6398 Remote Similarity NPC40234
0.6397 Remote Similarity NPC476990
0.6378 Remote Similarity NPC475637
0.6378 Remote Similarity NPC471259
0.6376 Remote Similarity NPC315266
0.6372 Remote Similarity NPC470783
0.6356 Remote Similarity NPC275715
0.6351 Remote Similarity NPC161069
0.6349 Remote Similarity NPC198344
0.6346 Remote Similarity NPC322372
0.6346 Remote Similarity NPC317377
0.6346 Remote Similarity NPC327517
0.6346 Remote Similarity NPC319334
0.6346 Remote Similarity NPC321485
0.6339 Remote Similarity NPC31756
0.6336 Remote Similarity NPC478024
0.6319 Remote Similarity NPC137627
0.6316 Remote Similarity NPC6902
0.6312 Remote Similarity NPC61004
0.6299 Remote Similarity NPC323720
0.6296 Remote Similarity NPC469899
0.6296 Remote Similarity NPC470788
0.6291 Remote Similarity NPC135121
0.6291 Remote Similarity NPC329761
0.6291 Remote Similarity NPC225648
0.6284 Remote Similarity NPC168113
0.6284 Remote Similarity NPC71866
0.6284 Remote Similarity NPC475278
0.6284 Remote Similarity NPC309450
0.6284 Remote Similarity NPC247776
0.6284 Remote Similarity NPC475266
0.6284 Remote Similarity NPC304299
0.6282 Remote Similarity NPC316244
0.628 Remote Similarity NPC471165
0.6277 Remote Similarity NPC200964
0.6268 Remote Similarity NPC261730
0.6266 Remote Similarity NPC469901
0.6266 Remote Similarity NPC114806
0.6259 Remote Similarity NPC471263
0.6258 Remote Similarity NPC475342
0.6258 Remote Similarity NPC328494
0.625 Remote Similarity NPC471821
0.625 Remote Similarity NPC99864
0.625 Remote Similarity NPC475918
0.625 Remote Similarity NPC471820
0.6242 Remote Similarity NPC176226
0.6242 Remote Similarity NPC197682
0.6242 Remote Similarity NPC139326
0.6241 Remote Similarity NPC272166
0.6222 Remote Similarity NPC476155
0.6222 Remote Similarity NPC17581
0.6203 Remote Similarity NPC24617
0.6194 Remote Similarity NPC262166
0.6194 Remote Similarity NPC66007
0.619 Remote Similarity NPC477637
0.6188 Remote Similarity NPC471052
0.6188 Remote Similarity NPC471053
0.6188 Remote Similarity NPC471051
0.6184 Remote Similarity NPC138775
0.6182 Remote Similarity NPC476227
0.6182 Remote Similarity NPC26108
0.6181 Remote Similarity NPC255447
0.6181 Remote Similarity NPC120420
0.6176 Remote Similarity NPC471261
0.6174 Remote Similarity NPC284456
0.6164 Remote Similarity NPC141050
0.6159 Remote Similarity NPC477217
0.6159 Remote Similarity NPC201244
0.6145 Remote Similarity NPC50016
0.6143 Remote Similarity NPC175726
0.6143 Remote Similarity NPC474082
0.6142 Remote Similarity NPC471258
0.6129 Remote Similarity NPC476449
0.6119 Remote Similarity NPC471645
0.6118 Remote Similarity NPC262077
0.6116 Remote Similarity NPC477538
0.6111 Remote Similarity NPC300315
0.6111 Remote Similarity NPC233932
0.6107 Remote Similarity NPC46098
0.6107 Remote Similarity NPC268841
0.6107 Remote Similarity NPC307357
0.6102 Remote Similarity NPC477539
0.6101 Remote Similarity NPC62104
0.6101 Remote Similarity NPC1390

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC315188 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
0.6667 Remote Similarity NPD3723 Clinical (unspecified phase)
0.662 Remote Similarity NPD8416 Discontinued
0.6613 Remote Similarity NPD6122 Discontinued
0.6612 Remote Similarity NPD8038 Phase 2
0.6528 Remote Similarity NPD8172 Phase 2
0.6528 Remote Similarity NPD8173 Phase 2
0.6525 Remote Similarity NPD4261 Phase 1
0.6496 Remote Similarity NPD8273 Phase 1
0.6379 Remote Similarity NPD7759 Phase 2
0.6379 Remote Similarity NPD7760 Phase 2
0.6345 Remote Similarity NPD8643 Discontinued
0.6311 Remote Similarity NPD7841 Clinical (unspecified phase)
0.625 Remote Similarity NPD8415 Approved
0.6242 Remote Similarity NPD8076 Discontinued
0.6241 Remote Similarity NPD1000 Clinical (unspecified phase)
0.6207 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6198 Remote Similarity NPD6699 Clinical (unspecified phase)
0.6183 Remote Similarity NPD6421 Discontinued
0.6148 Remote Similarity NPD5781 Clinical (unspecified phase)
0.6103 Remote Similarity NPD7756 Clinical (unspecified phase)
0.6099 Remote Similarity NPD7746 Phase 1
0.6099 Remote Similarity NPD7747 Phase 1
0.6078 Remote Similarity NPD8323 Discontinued
0.6061 Remote Similarity NPD6420 Discontinued
0.6045 Remote Similarity NPD1376 Discontinued
0.604 Remote Similarity NPD6901 Phase 3
0.6038 Remote Similarity NPD7118 Clinical (unspecified phase)
0.6034 Remote Similarity NPD2683 Discontinued
0.6028 Remote Similarity NPD2584 Suspended
0.6026 Remote Similarity NPD7613 Discontinued
0.6014 Remote Similarity NPD2585 Clinical (unspecified phase)
0.6014 Remote Similarity NPD5767 Discontinued
0.6014 Remote Similarity NPD7113 Clinical (unspecified phase)
0.6013 Remote Similarity NPD8414 Discontinued
0.6 Remote Similarity NPD7892 Clinical (unspecified phase)
0.5985 Remote Similarity NPD6413 Approved
0.5957 Remote Similarity NPD8299 Approved
0.5957 Remote Similarity NPD8342 Approved
0.5957 Remote Similarity NPD8340 Approved
0.5957 Remote Similarity NPD8341 Approved
0.5949 Remote Similarity NPD6670 Clinical (unspecified phase)
0.5942 Remote Similarity NPD3159 Discontinued
0.5918 Remote Similarity NPD1329 Clinical (unspecified phase)
0.5918 Remote Similarity NPD1330 Phase 2
0.5915 Remote Similarity NPD3677 Clinical (unspecified phase)
0.5899 Remote Similarity NPD2645 Approved
0.5894 Remote Similarity NPD7728 Clinical (unspecified phase)
0.5894 Remote Similarity NPD8384 Approved
0.5894 Remote Similarity NPD6077 Discontinued
0.5878 Remote Similarity NPD7333 Discontinued
0.5874 Remote Similarity NPD8448 Approved
0.5873 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5854 Remote Similarity NPD4780 Clinical (unspecified phase)
0.585 Remote Similarity NPD6919 Clinical (unspecified phase)
0.5833 Remote Similarity NPD2147 Approved
0.5818 Remote Similarity NPD8303 Discontinued
0.5816 Remote Similarity NPD1806 Approved
0.5816 Remote Similarity NPD1748 Approved
0.5812 Remote Similarity NPD7763 Phase 2
0.5812 Remote Similarity NPD7762 Phase 2
0.5806 Remote Similarity NPD6676 Phase 2
0.5804 Remote Similarity NPD8451 Approved
0.5797 Remote Similarity NPD961 Discontinued
0.5797 Remote Similarity NPD6935 Phase 3
0.5797 Remote Similarity NPD6936 Clinical (unspecified phase)
0.5782 Remote Similarity NPD4125 Approved
0.5781 Remote Similarity NPD4825 Clinical (unspecified phase)
0.5778 Remote Similarity NPD2204 Approved
0.5776 Remote Similarity NPD8417 Discontinued
0.5766 Remote Similarity NPD7915 Approved
0.5766 Remote Similarity NPD7916 Approved
0.5755 Remote Similarity NPD7641 Discontinued
0.5753 Remote Similarity NPD5339 Clinical (unspecified phase)
0.5753 Remote Similarity NPD8391 Approved
0.5753 Remote Similarity NPD7751 Phase 1
0.5753 Remote Similarity NPD8390 Approved
0.5753 Remote Similarity NPD8392 Approved
0.575 Remote Similarity NPD8315 Phase 1
0.5748 Remote Similarity NPD4228 Discovery
0.5742 Remote Similarity NPD6860 Clinical (unspecified phase)
0.5738 Remote Similarity NPD3177 Phase 3
0.5724 Remote Similarity NPD3125 Approved
0.5724 Remote Similarity NPD7761 Suspended
0.5714 Remote Similarity NPD2132 Phase 3
0.5714 Remote Similarity NPD6937 Approved
0.5704 Remote Similarity NPD7623 Phase 3
0.5704 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5703 Remote Similarity NPD3713 Approved
0.5703 Remote Similarity NPD3714 Approved
0.5703 Remote Similarity NPD3715 Approved
0.5694 Remote Similarity NPD4816 Clinical (unspecified phase)
0.5677 Remote Similarity NPD6681 Discovery
0.5664 Remote Similarity NPD7642 Approved
0.5656 Remote Similarity NPD3176 Clinical (unspecified phase)
0.5647 Remote Similarity NPD8126 Clinical (unspecified phase)
0.5647 Remote Similarity NPD8124 Phase 3
0.5643 Remote Similarity NPD1773 Discontinued
0.5634 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6078 Clinical (unspecified phase)
0.5615 Remote Similarity NPD5359 Clinical (unspecified phase)
0.5608 Remote Similarity NPD4177 Approved
0.5608 Remote Similarity NPD4175 Approved
0.5602 Remote Similarity NPD8351 Phase 2
0.56 Remote Similarity NPD6095 Approved
0.56 Remote Similarity NPD2682 Approved
0.56 Remote Similarity NPD6094 Approved

Structure

External Identifiers

PubChem CID   71718509
ChEMBL   CHEMBL2304223
ZINC  

Physicochemical Properties

Molecular Weight:  1246.64
ALogP:  -7.3257
MLogP:  4.32
XLogP:  1.94
# Rotatable Bonds:  42
Polar Surface Area:  498.65
# H-Bond Aceptor:  31
# H-Bond Donor:  14
# Rings:  3
# Heavy Atoms:  88

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Similar NPs/Drugs