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 ; |
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* |
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 |
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 |
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 |
PubChem CID   | 71718509 |
ChEMBL   | CHEMBL2304223 |
ZINC   |
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 |