Natural Product: NPC1111

Natural Product ID:  NPC1111
Common Name:   (3R,4S,5S,7R,9E,11R,12R)-4-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-12-Ethyl-3,5,7,11-Tetramethyl-1-Oxacyclododec-9-Ene-2,8-Dione
IUPAC Name:   (3R,4S,5S,7R,9E,11R,12R)-4-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
Synonyms:   YC-17
Molecular Formula:   C25H43NO6
Standard InCHIKey:  DZGHWPQKGWXOHD-NHLONWFASA-N
Standard InCHI:  InChI=1S/C25H43NO6/c1-9-21-14(2)10-11-20(27)15(3)12-16(4)23(18(6)24(29)31-21)32-25-22(28)19(26(7)8)13-17(5)30-25/h10-11,14-19,21-23,25,28H,9,12-13H2,1-8H3/b11-10+/t14-,15-,16+,17-,18-,19+,21-,22-,23+,25+/m1/s1
Canonical SMILES:  CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@H](C(=O)/C=C/[C@H]1C)C
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
NPO28993 Streptomyces venezuelae Species Streptomycetaceae Bacteria StreptomeDB*
NPO28993.4 Streptomyces venezuelae atcc 15439 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO28993.22 Streptomyces venezuelae yj003 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 16 mm 11720530

  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 NPC1111 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
1.0 High Similarity NPC261750
0.9808 High Similarity NPC60432
0.9533 High Similarity NPC30196
0.9444 High Similarity NPC6531
0.9115 High Similarity NPC314629
0.8947 High Similarity NPC318445
0.8947 High Similarity NPC316133
0.8729 High Similarity NPC315387
0.8729 High Similarity NPC316205
0.8583 High Similarity NPC316401
0.839 Intermediate Similarity NPC313333
0.839 Intermediate Similarity NPC313342
0.839 Intermediate Similarity NPC314451
0.839 Intermediate Similarity NPC314512
0.825 Intermediate Similarity NPC314282
0.8151 Intermediate Similarity NPC315783
0.7966 Intermediate Similarity NPC67917
0.7966 Intermediate Similarity NPC477515
0.7966 Intermediate Similarity NPC313802
0.7966 Intermediate Similarity NPC314268
0.7909 Intermediate Similarity NPC227622
0.7632 Intermediate Similarity NPC137453
0.7545 Intermediate Similarity NPC476612
0.7545 Intermediate Similarity NPC476613
0.75 Intermediate Similarity NPC475642
0.7345 Intermediate Similarity NPC476611
0.7258 Intermediate Similarity NPC156379
0.7258 Intermediate Similarity NPC475383
0.7257 Intermediate Similarity NPC469871
0.7257 Intermediate Similarity NPC469870
0.7252 Intermediate Similarity NPC99864
0.7248 Intermediate Similarity NPC472199
0.7241 Intermediate Similarity NPC201128
0.7241 Intermediate Similarity NPC475918
0.7236 Intermediate Similarity NPC241050
0.7232 Intermediate Similarity NPC40812
0.7232 Intermediate Similarity NPC278506
0.7227 Intermediate Similarity NPC21713
0.7227 Intermediate Similarity NPC475608
0.7203 Intermediate Similarity NPC473578
0.7176 Intermediate Similarity NPC120420
0.7168 Intermediate Similarity NPC83895
0.7168 Intermediate Similarity NPC187761
0.7155 Intermediate Similarity NPC469869
0.7154 Intermediate Similarity NPC200412
0.7154 Intermediate Similarity NPC156336
0.7154 Intermediate Similarity NPC201889
0.7154 Intermediate Similarity NPC106791
0.7154 Intermediate Similarity NPC120599
0.713 Intermediate Similarity NPC477198
0.7119 Intermediate Similarity NPC475960
0.7117 Intermediate Similarity NPC472198
0.7099 Intermediate Similarity NPC314361
0.7094 Intermediate Similarity NPC476738
0.7094 Intermediate Similarity NPC476740
0.7091 Intermediate Similarity NPC472197
0.708 Intermediate Similarity NPC266842
0.7069 Intermediate Similarity NPC309398
0.7054 Intermediate Similarity NPC108141
0.7045 Intermediate Similarity NPC78189
0.7027 Intermediate Similarity NPC472196
0.7027 Intermediate Similarity NPC472195
0.7027 Intermediate Similarity NPC238090
0.7027 Intermediate Similarity NPC478036
0.7027 Intermediate Similarity NPC478037
0.7025 Intermediate Similarity NPC275100
0.7025 Intermediate Similarity NPC469865
0.7023 Intermediate Similarity NPC139585
0.7018 Intermediate Similarity NPC308567
0.7018 Intermediate Similarity NPC472015
0.7018 Intermediate Similarity NPC261377
0.7018 Intermediate Similarity NPC255592
0.7 Intermediate Similarity NPC473311
0.6984 Remote Similarity NPC23963
0.6975 Remote Similarity NPC193765
0.6964 Remote Similarity NPC71589
0.6964 Remote Similarity NPC159698
0.6953 Remote Similarity NPC204639
0.6952 Remote Similarity NPC21693
0.6952 Remote Similarity NPC236649
0.693 Remote Similarity NPC472290
0.6923 Remote Similarity NPC472750
0.6923 Remote Similarity NPC473816
0.6923 Remote Similarity NPC475367
0.6923 Remote Similarity NPC474581
0.6923 Remote Similarity NPC472747
0.6917 Remote Similarity NPC313668
0.6917 Remote Similarity NPC315836
0.6909 Remote Similarity NPC159369
0.6909 Remote Similarity NPC39290
0.6889 Remote Similarity NPC230889
0.6885 Remote Similarity NPC474497
0.688 Remote Similarity NPC475309
0.688 Remote Similarity NPC13710
0.688 Remote Similarity NPC235625
0.6875 Remote Similarity NPC320089
0.687 Remote Similarity NPC70733
0.687 Remote Similarity NPC56071
0.6864 Remote Similarity NPC474917
0.6864 Remote Similarity NPC472748
0.686 Remote Similarity NPC196073
0.686 Remote Similarity NPC472508
0.686 Remote Similarity NPC195435
0.685 Remote Similarity NPC470829
0.685 Remote Similarity NPC473228
0.6847 Remote Similarity NPC313670
0.6842 Remote Similarity NPC306041
0.6842 Remote Similarity NPC165332
0.6842 Remote Similarity NPC195645
0.6842 Remote Similarity NPC180722
0.6838 Remote Similarity NPC474747
0.6833 Remote Similarity NPC473807
0.6833 Remote Similarity NPC472507
0.6829 Remote Similarity NPC193471
0.6829 Remote Similarity NPC130124
0.6822 Remote Similarity NPC156089
0.6822 Remote Similarity NPC473500
0.6822 Remote Similarity NPC38295
0.6822 Remote Similarity NPC470313
0.6807 Remote Similarity NPC472751
0.6807 Remote Similarity NPC154601
0.6807 Remote Similarity NPC472749
0.6807 Remote Similarity NPC271269
0.6792 Remote Similarity NPC280367
0.6791 Remote Similarity NPC76999
0.6786 Remote Similarity NPC184463
0.6786 Remote Similarity NPC470373
0.6786 Remote Similarity NPC470379
0.678 Remote Similarity NPC475871
0.678 Remote Similarity NPC475945
0.6777 Remote Similarity NPC118225
0.6772 Remote Similarity NPC48692
0.6769 Remote Similarity NPC309525
0.6767 Remote Similarity NPC90814
0.6767 Remote Similarity NPC189393
0.6759 Remote Similarity NPC266718
0.6752 Remote Similarity NPC316250
0.6752 Remote Similarity NPC47880
0.6752 Remote Similarity NPC472753
0.6741 Remote Similarity NPC75318
0.6727 Remote Similarity NPC86005
0.6726 Remote Similarity NPC61201
0.6724 Remote Similarity NPC161855
0.6723 Remote Similarity NPC470519
0.6723 Remote Similarity NPC203659
0.6723 Remote Similarity NPC231271
0.6721 Remote Similarity NPC83005
0.6697 Remote Similarity NPC477746
0.6697 Remote Similarity NPC477747
0.6696 Remote Similarity NPC478003
0.6696 Remote Similarity NPC158388
0.6696 Remote Similarity NPC256230
0.6696 Remote Similarity NPC473291
0.6696 Remote Similarity NPC54731
0.6696 Remote Similarity NPC478004
0.6695 Remote Similarity NPC225353
0.6695 Remote Similarity NPC313569
0.6695 Remote Similarity NPC472754
0.6695 Remote Similarity NPC149371
0.6694 Remote Similarity NPC475150
0.6694 Remote Similarity NPC473288
0.6694 Remote Similarity NPC272576
0.6694 Remote Similarity NPC392
0.6694 Remote Similarity NPC177524
0.6694 Remote Similarity NPC469597
0.6694 Remote Similarity NPC219900
0.6693 Remote Similarity NPC319570
0.6691 Remote Similarity NPC145899
0.6667 Remote Similarity NPC471755
0.6667 Remote Similarity NPC245094
0.6667 Remote Similarity NPC471756
0.6667 Remote Similarity NPC163783
0.6667 Remote Similarity NPC5418
0.6667 Remote Similarity NPC69469
0.6667 Remote Similarity NPC210178
0.6667 Remote Similarity NPC137368
0.6667 Remote Similarity NPC133377
0.6667 Remote Similarity NPC47857
0.6667 Remote Similarity NPC168758
0.6667 Remote Similarity NPC309433
0.6667 Remote Similarity NPC181510
0.6642 Remote Similarity NPC475472
0.6641 Remote Similarity NPC477143
0.6641 Remote Similarity NPC314482
0.6641 Remote Similarity NPC477140
0.664 Remote Similarity NPC471645
0.6639 Remote Similarity NPC110989
0.6639 Remote Similarity NPC472755
0.6639 Remote Similarity NPC246205
0.6637 Remote Similarity NPC61894
0.6637 Remote Similarity NPC477749
0.6637 Remote Similarity NPC30515
0.6637 Remote Similarity NPC475603
0.6636 Remote Similarity NPC477994
0.6636 Remote Similarity NPC477993
0.6636 Remote Similarity NPC258824
0.6635 Remote Similarity NPC266119
0.6614 Remote Similarity NPC234522
0.6614 Remote Similarity NPC284656
0.6613 Remote Similarity NPC174836

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC1111 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
0.9182 High Similarity NPD7641 Discontinued
0.8947 High Similarity NPD7642 Approved
0.839 Intermediate Similarity NPD8342 Approved
0.839 Intermediate Similarity NPD8340 Approved
0.839 Intermediate Similarity NPD8341 Approved
0.839 Intermediate Similarity NPD8299 Approved
0.8376 Intermediate Similarity NPD8080 Discontinued
0.8319 Intermediate Similarity NPD8451 Approved
0.8261 Intermediate Similarity NPD8137 Clinical (unspecified phase)
0.825 Intermediate Similarity NPD8448 Approved
0.8151 Intermediate Similarity NPD7829 Approved
0.8151 Intermediate Similarity NPD7830 Approved
0.8136 Intermediate Similarity NPD8274 Clinical (unspecified phase)
0.8049 Intermediate Similarity NPD8392 Approved
0.8049 Intermediate Similarity NPD8391 Approved
0.8049 Intermediate Similarity NPD8390 Approved
0.7983 Intermediate Similarity NPD8444 Approved
0.7909 Intermediate Similarity NPD8083 Approved
0.7909 Intermediate Similarity NPD8082 Approved
0.7909 Intermediate Similarity NPD8086 Approved
0.7909 Intermediate Similarity NPD8084 Approved
0.7909 Intermediate Similarity NPD8138 Approved
0.7909 Intermediate Similarity NPD8139 Approved
0.7909 Intermediate Similarity NPD8085 Approved
0.7838 Intermediate Similarity NPD8276 Approved
0.7838 Intermediate Similarity NPD8275 Approved
0.7768 Intermediate Similarity NPD8081 Approved
0.7699 Intermediate Similarity NPD8393 Approved
0.7478 Intermediate Similarity NPD8307 Discontinued
0.7478 Intermediate Similarity NPD8140 Approved
0.746 Intermediate Similarity NPD8337 Approved
0.746 Intermediate Similarity NPD8336 Approved
0.7364 Intermediate Similarity NPD8338 Approved
0.735 Intermediate Similarity NPD8305 Approved
0.735 Intermediate Similarity NPD8306 Approved
0.7288 Intermediate Similarity NPD8087 Discontinued
0.7252 Intermediate Similarity NPD8415 Approved
0.7197 Intermediate Similarity NPD8387 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD8301 Approved
0.713 Intermediate Similarity NPD8300 Approved
0.6972 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6937 Remote Similarity NPD7983 Approved
0.6899 Remote Similarity NPD8273 Phase 1
0.6847 Remote Similarity NPD6698 Approved
0.6847 Remote Similarity NPD46 Approved
0.6842 Remote Similarity NPD7839 Suspended
0.6772 Remote Similarity NPD8345 Approved
0.6772 Remote Similarity NPD8346 Approved
0.6772 Remote Similarity NPD8347 Approved
0.6721 Remote Similarity NPD6421 Discontinued
0.6694 Remote Similarity NPD6686 Approved
0.6691 Remote Similarity NPD8384 Approved
0.6589 Remote Similarity NPD6921 Approved
0.6532 Remote Similarity NPD2204 Approved
0.6489 Remote Similarity NPD8328 Phase 3
0.6475 Remote Similarity NPD6412 Phase 2
0.6471 Remote Similarity NPD2613 Approved
0.6466 Remote Similarity NPD8074 Phase 3
0.6462 Remote Similarity NPD8515 Approved
0.6462 Remote Similarity NPD8513 Phase 3
0.6462 Remote Similarity NPD8517 Approved
0.6462 Remote Similarity NPD8516 Approved
0.6444 Remote Similarity NPD6914 Discontinued
0.6441 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6406 Remote Similarity NPD7500 Approved
0.6404 Remote Similarity NPD8522 Clinical (unspecified phase)
0.6331 Remote Similarity NPD3087 Approved
0.6331 Remote Similarity NPD2570 Approved
0.6331 Remote Similarity NPD3090 Approved
0.6331 Remote Similarity NPD3616 Approved
0.6331 Remote Similarity NPD4746 Phase 3
0.6331 Remote Similarity NPD3614 Approved
0.6331 Remote Similarity NPD4745 Approved
0.6331 Remote Similarity NPD2571 Approved
0.6331 Remote Similarity NPD3089 Approved
0.6331 Remote Similarity NPD2574 Discontinued
0.6331 Remote Similarity NPD2573 Approved
0.6331 Remote Similarity NPD2566 Approved
0.6331 Remote Similarity NPD3088 Approved
0.6331 Remote Similarity NPD3615 Approved
0.6331 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6101 Approved
0.6316 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6296 Remote Similarity NPD7736 Approved
0.6293 Remote Similarity NPD5779 Approved
0.6293 Remote Similarity NPD5778 Approved
0.6288 Remote Similarity NPD6370 Approved
0.6277 Remote Similarity NPD7260 Phase 2
0.6273 Remote Similarity NPD7345 Approved
0.6273 Remote Similarity NPD6435 Approved
0.6261 Remote Similarity NPD7838 Discovery
0.6241 Remote Similarity NPD7122 Discontinued
0.6241 Remote Similarity NPD4684 Phase 3
0.6241 Remote Similarity NPD4686 Approved
0.6241 Remote Similarity NPD4685 Phase 3
0.6212 Remote Similarity NPD8269 Approved
0.6212 Remote Similarity NPD8268 Approved
0.6212 Remote Similarity NPD8267 Approved
0.6212 Remote Similarity NPD8266 Approved
0.6207 Remote Similarity NPD6411 Approved
0.6194 Remote Similarity NPD7492 Approved
0.619 Remote Similarity NPD6371 Approved
0.6186 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6165 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6165 Remote Similarity NPD7623 Phase 3
0.6154 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6148 Remote Similarity NPD6616 Approved
0.6142 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6142 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6054 Approved
0.6134 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6131 Remote Similarity NPD7319 Approved
0.6122 Remote Similarity NPD2575 Approved
0.6118 Remote Similarity NPD8414 Discontinued
0.6115 Remote Similarity NPD6845 Suspended
0.6106 Remote Similarity NPD5363 Approved
0.6103 Remote Similarity NPD8293 Discontinued
0.6103 Remote Similarity NPD7747 Phase 1
0.6103 Remote Similarity NPD7078 Approved
0.6103 Remote Similarity NPD7746 Phase 1
0.6102 Remote Similarity NPD5282 Discontinued
0.6098 Remote Similarity NPD1407 Approved
0.6094 Remote Similarity NPD6430 Approved
0.6094 Remote Similarity NPD6429 Approved
0.6091 Remote Similarity NPD5368 Approved
0.609 Remote Similarity NPD6908 Approved
0.609 Remote Similarity NPD6909 Approved
0.608 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6055 Remote Similarity NPD3732 Approved
0.6053 Remote Similarity NPD5786 Approved
0.6036 Remote Similarity NPD5369 Approved
0.6031 Remote Similarity NPD6936 Clinical (unspecified phase)
0.6031 Remote Similarity NPD6935 Phase 3
0.6029 Remote Similarity NPD7507 Approved
0.6016 Remote Similarity NPD1719 Phase 1
0.6015 Remote Similarity NPD6319 Approved
0.6 Remote Similarity NPD4211 Phase 1
0.5984 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5983 Remote Similarity NPD5785 Approved
0.597 Remote Similarity NPD7739 Clinical (unspecified phase)
0.597 Remote Similarity NPD6016 Approved
0.597 Remote Similarity NPD6015 Approved
0.5956 Remote Similarity NPD4216 Approved
0.5956 Remote Similarity NPD3131 Approved
0.5956 Remote Similarity NPD4218 Approved
0.5956 Remote Similarity NPD2609 Approved
0.5956 Remote Similarity NPD2612 Approved
0.5956 Remote Similarity NPD4217 Approved
0.5956 Remote Similarity NPD2610 Approved
0.5956 Remote Similarity NPD4215 Approved
0.5956 Remote Similarity NPD3132 Approved
0.5956 Remote Similarity NPD2611 Approved
0.5956 Remote Similarity NPD2608 Approved
0.594 Remote Similarity NPD7519 Approved
0.594 Remote Similarity NPD7517 Approved
0.594 Remote Similarity NPD7518 Approved
0.5926 Remote Similarity NPD5988 Approved
0.5923 Remote Similarity NPD3731 Phase 3
0.5923 Remote Similarity NPD1376 Discontinued
0.5909 Remote Similarity NPD6009 Approved
0.5906 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5896 Remote Similarity NPD6059 Approved
0.5896 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5882 Remote Similarity NPD1447 Phase 3
0.5882 Remote Similarity NPD7604 Phase 2
0.5882 Remote Similarity NPD1446 Phase 3
0.5846 Remote Similarity NPD6882 Approved
0.5841 Remote Similarity NPD4270 Approved
0.5841 Remote Similarity NPD4269 Approved
0.5841 Remote Similarity NPD883 Phase 2
0.5841 Remote Similarity NPD882 Phase 2
0.5833 Remote Similarity NPD4830 Approved
0.5833 Remote Similarity NPD4832 Approved
0.5833 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5833 Remote Similarity NPD4831 Approved
0.5826 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5814 Remote Similarity NPD6420 Discontinued
0.5806 Remote Similarity NPD5344 Discontinued
0.5802 Remote Similarity NPD4632 Approved
0.5793 Remote Similarity NPD6334 Approved
0.5793 Remote Similarity NPD6333 Approved
0.5789 Remote Similarity NPD7154 Phase 3
0.5772 Remote Similarity NPD2255 Approved
0.5769 Remote Similarity NPD2690 Discontinued
0.576 Remote Similarity NPD7139 Approved
0.576 Remote Similarity NPD7140 Approved
0.576 Remote Similarity NPD7141 Clinical (unspecified phase)
0.575 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5748 Remote Similarity NPD5357 Phase 1
0.5738 Remote Similarity NPD4228 Discovery
0.5736 Remote Similarity NPD6941 Approved
0.5726 Remote Similarity NPD4251 Approved
0.5726 Remote Similarity NPD4250 Approved
0.5725 Remote Similarity NPD8297 Approved
0.5691 Remote Similarity NPD8319 Approved
0.5691 Remote Similarity NPD8320 Phase 1
0.5678 Remote Similarity NPD4264 Clinical (unspecified phase)
0.5672 Remote Similarity NPD7115 Discovery
0.5664 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5664 Remote Similarity NPD4252 Approved

Structure

External Identifiers

PubChem CID   5282032
ChEMBL   CHEMBL326421
ZINC  

Physicochemical Properties

Molecular Weight:  453.31
ALogP:  -0.2189
MLogP:  3.44
XLogP:  2.465
# Rotatable Bonds:  13
Polar Surface Area:  85.3
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  32

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs