Natural Product: NPC60432

Natural Product ID:  NPC60432
Common Name:   (3R,5R,6S,7S,9R,11E,13R,14R)-6-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-14-Ethyl-3,5,7,9,13-Pentamethyl-1-Oxacyclotetradec-11-Ene-2,4,10-Trione
IUPAC Name:   (3R,5R,6S,7S,9R,11E,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione
Synonyms:  
Molecular Formula:   C28H47NO7
Standard InCHIKey:  OXFYAOOMMKGGAI-JLTOUBQASA-N
Standard InCHI:  InChI=1S/C28H47NO7/c1-10-23-15(2)11-12-22(30)16(3)13-17(4)26(19(6)24(31)20(7)27(33)35-23)36-28-25(32)21(29(8)9)14-18(5)34-28/h11-12,15-21,23,25-26,28,32H,10,13-14H2,1-9H3/b12-11+/t15-,16-,17+,18-,19+,20-,21+,23-,25-,26+,28+/m1/s1
Canonical SMILES:  CC[C@H]1OC(=O)[C@H](C)C(=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@H](C(=O)/C=C/[C@H]1C)C)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
NPO28993.4 Streptomyces venezuelae atcc 15439 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO12176.8 Streptomyces olivaceus satratus Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO28993.5 Streptomyces venezuelae ax-906 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO26522 Streptomyces narbonensis Species Streptomycetaceae Bacteria StreptomeDB*
NPO28993 Streptomyces venezuelae Species Streptomycetaceae Bacteria StreptomeDB*
NPO24792 Streptomyces flavochromogenes Species Streptomycetaceae Bacteria StreptomeDB*
NPO15517 Streptomyces zaomyceticus Species Streptomycetaceae Bacteria StreptomeDB*
NPO7206.1 Streptomyces felleus nrrl b-16606 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO26522.2 Streptomyces narbonensis nrrl b-1680 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT27 Others Unspecified Ratio = 0.023 U M-1 s-1 9873687

  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 NPC60432 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
0.9808 High Similarity NPC261750
0.9808 High Similarity NPC1111
0.9352 High Similarity NPC30196
0.9266 High Similarity NPC6531
0.8947 High Similarity NPC314629
0.8783 High Similarity NPC316133
0.8783 High Similarity NPC318445
0.8571 High Similarity NPC315387
0.8571 High Similarity NPC316205
0.843 Intermediate Similarity NPC316401
0.8235 Intermediate Similarity NPC314451
0.8235 Intermediate Similarity NPC314512
0.8235 Intermediate Similarity NPC313333
0.8235 Intermediate Similarity NPC313342
0.8099 Intermediate Similarity NPC314282
0.8 Intermediate Similarity NPC315783
0.7815 Intermediate Similarity NPC67917
0.7815 Intermediate Similarity NPC313802
0.7815 Intermediate Similarity NPC477515
0.7815 Intermediate Similarity NPC314268
0.7748 Intermediate Similarity NPC227622
0.7478 Intermediate Similarity NPC137453
0.7387 Intermediate Similarity NPC476612
0.7387 Intermediate Similarity NPC476613
0.7355 Intermediate Similarity NPC475642
0.7193 Intermediate Similarity NPC476611
0.7121 Intermediate Similarity NPC99864
0.712 Intermediate Similarity NPC475383
0.712 Intermediate Similarity NPC156379
0.7105 Intermediate Similarity NPC469871
0.7105 Intermediate Similarity NPC469870
0.7097 Intermediate Similarity NPC241050
0.7094 Intermediate Similarity NPC475918
0.7094 Intermediate Similarity NPC201128
0.7091 Intermediate Similarity NPC472199
0.7083 Intermediate Similarity NPC21713
0.7083 Intermediate Similarity NPC475608
0.708 Intermediate Similarity NPC278506
0.708 Intermediate Similarity NPC40812
0.7059 Intermediate Similarity NPC473578
0.7045 Intermediate Similarity NPC120420
0.7045 Intermediate Similarity NPC78189
0.7018 Intermediate Similarity NPC83895
0.7018 Intermediate Similarity NPC187761
0.7016 Intermediate Similarity NPC201889
0.7016 Intermediate Similarity NPC156336
0.7016 Intermediate Similarity NPC106791
0.7016 Intermediate Similarity NPC200412
0.7016 Intermediate Similarity NPC120599
0.7009 Intermediate Similarity NPC469869
0.6983 Remote Similarity NPC477198
0.6975 Remote Similarity NPC475960
0.697 Remote Similarity NPC314361
0.6964 Remote Similarity NPC472198
0.6953 Remote Similarity NPC204639
0.6949 Remote Similarity NPC476738
0.6949 Remote Similarity NPC476740
0.6937 Remote Similarity NPC472197
0.693 Remote Similarity NPC266842
0.6923 Remote Similarity NPC309398
0.6903 Remote Similarity NPC108141
0.6894 Remote Similarity NPC139585
0.6889 Remote Similarity NPC230889
0.6885 Remote Similarity NPC469865
0.6885 Remote Similarity NPC275100
0.6885 Remote Similarity NPC474497
0.6875 Remote Similarity NPC238090
0.6875 Remote Similarity NPC478037
0.6875 Remote Similarity NPC472196
0.6875 Remote Similarity NPC472195
0.6875 Remote Similarity NPC478036
0.687 Remote Similarity NPC308567
0.687 Remote Similarity NPC255592
0.687 Remote Similarity NPC472015
0.687 Remote Similarity NPC261377
0.686 Remote Similarity NPC195435
0.686 Remote Similarity NPC196073
0.685 Remote Similarity NPC23963
0.6847 Remote Similarity NPC473311
0.6833 Remote Similarity NPC193765
0.6829 Remote Similarity NPC193471
0.6829 Remote Similarity NPC130124
0.6814 Remote Similarity NPC71589
0.6814 Remote Similarity NPC159698
0.6807 Remote Similarity NPC271269
0.6792 Remote Similarity NPC21693
0.6792 Remote Similarity NPC236649
0.6783 Remote Similarity NPC472290
0.678 Remote Similarity NPC472747
0.678 Remote Similarity NPC474581
0.678 Remote Similarity NPC472750
0.678 Remote Similarity NPC473816
0.678 Remote Similarity NPC475367
0.6777 Remote Similarity NPC315836
0.6777 Remote Similarity NPC313668
0.6769 Remote Similarity NPC309525
0.6757 Remote Similarity NPC39290
0.6757 Remote Similarity NPC159369
0.6746 Remote Similarity NPC13710
0.6746 Remote Similarity NPC475309
0.6746 Remote Similarity NPC235625
0.6726 Remote Similarity NPC320089
0.6724 Remote Similarity NPC56071
0.6724 Remote Similarity NPC70733
0.6724 Remote Similarity NPC161855
0.6723 Remote Similarity NPC474917
0.6723 Remote Similarity NPC472748
0.6721 Remote Similarity NPC472508
0.6719 Remote Similarity NPC470829
0.6719 Remote Similarity NPC473228
0.6696 Remote Similarity NPC313670
0.6696 Remote Similarity NPC306041
0.6696 Remote Similarity NPC165332
0.6696 Remote Similarity NPC473291
0.6696 Remote Similarity NPC180722
0.6696 Remote Similarity NPC195645
0.6695 Remote Similarity NPC474747
0.6694 Remote Similarity NPC472507
0.6694 Remote Similarity NPC473807
0.6667 Remote Similarity NPC473500
0.6667 Remote Similarity NPC168758
0.6667 Remote Similarity NPC38295
0.6667 Remote Similarity NPC472749
0.6667 Remote Similarity NPC154601
0.6667 Remote Similarity NPC76999
0.6667 Remote Similarity NPC470313
0.6667 Remote Similarity NPC156089
0.6667 Remote Similarity NPC47857
0.6667 Remote Similarity NPC472751
0.6667 Remote Similarity NPC181510
0.6642 Remote Similarity NPC90814
0.6642 Remote Similarity NPC189393
0.6641 Remote Similarity NPC48692
0.6641 Remote Similarity NPC314482
0.6639 Remote Similarity NPC118225
0.6639 Remote Similarity NPC475871
0.6639 Remote Similarity NPC475945
0.6637 Remote Similarity NPC184463
0.6637 Remote Similarity NPC30515
0.6637 Remote Similarity NPC470373
0.6637 Remote Similarity NPC470379
0.6636 Remote Similarity NPC280367
0.6618 Remote Similarity NPC75318
0.6614 Remote Similarity NPC284656
0.6612 Remote Similarity NPC251330
0.661 Remote Similarity NPC316250
0.661 Remote Similarity NPC47880
0.661 Remote Similarity NPC472753
0.6607 Remote Similarity NPC307411
0.6606 Remote Similarity NPC266718
0.6606 Remote Similarity NPC9868
0.6585 Remote Similarity NPC83005
0.6583 Remote Similarity NPC203659
0.6583 Remote Similarity NPC470519
0.6583 Remote Similarity NPC231271
0.6579 Remote Similarity NPC61201
0.6577 Remote Similarity NPC248602
0.6577 Remote Similarity NPC86005
0.6569 Remote Similarity NPC145899
0.6562 Remote Similarity NPC319570
0.656 Remote Similarity NPC469597
0.6557 Remote Similarity NPC475150
0.6557 Remote Similarity NPC392
0.6557 Remote Similarity NPC473288
0.6557 Remote Similarity NPC272576
0.6557 Remote Similarity NPC219900
0.6557 Remote Similarity NPC177524
0.6555 Remote Similarity NPC225353
0.6555 Remote Similarity NPC472754
0.6555 Remote Similarity NPC313569
0.6555 Remote Similarity NPC149371
0.6552 Remote Similarity NPC54731
0.6552 Remote Similarity NPC256230
0.6549 Remote Similarity NPC478004
0.6549 Remote Similarity NPC478003
0.6549 Remote Similarity NPC476004
0.6549 Remote Similarity NPC51004
0.6549 Remote Similarity NPC474761
0.6549 Remote Similarity NPC158388
0.6545 Remote Similarity NPC477746
0.6545 Remote Similarity NPC475206
0.6545 Remote Similarity NPC471494
0.6545 Remote Similarity NPC477747
0.6542 Remote Similarity NPC103634
0.6541 Remote Similarity NPC245094
0.6541 Remote Similarity NPC163783
0.6535 Remote Similarity NPC309433
0.6535 Remote Similarity NPC65045
0.6529 Remote Similarity NPC210178
0.6522 Remote Similarity NPC5418
0.6519 Remote Similarity NPC475472
0.6518 Remote Similarity NPC137368
0.6518 Remote Similarity NPC476708
0.6518 Remote Similarity NPC471755
0.6518 Remote Similarity NPC202672
0.6518 Remote Similarity NPC471756
0.6514 Remote Similarity NPC11620
0.6514 Remote Similarity NPC69469
0.6512 Remote Similarity NPC477140
0.6512 Remote Similarity NPC477143

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC60432 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
0.9009 High Similarity NPD7641 Discontinued
0.8783 High Similarity NPD7642 Approved
0.8235 Intermediate Similarity NPD8342 Approved
0.8235 Intermediate Similarity NPD8340 Approved
0.8235 Intermediate Similarity NPD8299 Approved
0.8235 Intermediate Similarity NPD8341 Approved
0.822 Intermediate Similarity NPD8080 Discontinued
0.8167 Intermediate Similarity NPD8451 Approved
0.8103 Intermediate Similarity NPD8137 Clinical (unspecified phase)
0.8099 Intermediate Similarity NPD8448 Approved
0.8 Intermediate Similarity NPD7829 Approved
0.8 Intermediate Similarity NPD7830 Approved
0.7983 Intermediate Similarity NPD8444 Approved
0.7983 Intermediate Similarity NPD8274 Clinical (unspecified phase)
0.7903 Intermediate Similarity NPD8391 Approved
0.7903 Intermediate Similarity NPD8392 Approved
0.7903 Intermediate Similarity NPD8390 Approved
0.7748 Intermediate Similarity NPD8085 Approved
0.7748 Intermediate Similarity NPD8082 Approved
0.7748 Intermediate Similarity NPD8084 Approved
0.7748 Intermediate Similarity NPD8139 Approved
0.7748 Intermediate Similarity NPD8138 Approved
0.7748 Intermediate Similarity NPD8086 Approved
0.7748 Intermediate Similarity NPD8083 Approved
0.7679 Intermediate Similarity NPD8276 Approved
0.7679 Intermediate Similarity NPD8275 Approved
0.7611 Intermediate Similarity NPD8081 Approved
0.7544 Intermediate Similarity NPD8393 Approved
0.7328 Intermediate Similarity NPD8307 Discontinued
0.7328 Intermediate Similarity NPD8140 Approved
0.7323 Intermediate Similarity NPD8337 Approved
0.7323 Intermediate Similarity NPD8336 Approved
0.7231 Intermediate Similarity NPD8338 Approved
0.7203 Intermediate Similarity NPD8306 Approved
0.7203 Intermediate Similarity NPD8305 Approved
0.7143 Intermediate Similarity NPD8087 Discontinued
0.7121 Intermediate Similarity NPD8415 Approved
0.7068 Intermediate Similarity NPD8387 Clinical (unspecified phase)
0.6983 Remote Similarity NPD8301 Approved
0.6983 Remote Similarity NPD8300 Approved
0.6853 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7983 Approved
0.6769 Remote Similarity NPD8273 Phase 1
0.6696 Remote Similarity NPD7839 Suspended
0.6696 Remote Similarity NPD46 Approved
0.6696 Remote Similarity NPD6698 Approved
0.6641 Remote Similarity NPD8347 Approved
0.6641 Remote Similarity NPD8345 Approved
0.6641 Remote Similarity NPD8346 Approved
0.6585 Remote Similarity NPD6421 Discontinued
0.6571 Remote Similarity NPD8384 Approved
0.6557 Remote Similarity NPD6686 Approved
0.6462 Remote Similarity NPD6921 Approved
0.6444 Remote Similarity NPD6914 Discontinued
0.6441 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6406 Remote Similarity NPD7500 Approved
0.64 Remote Similarity NPD2204 Approved
0.6364 Remote Similarity NPD8328 Phase 3
0.635 Remote Similarity NPD2613 Approved
0.6343 Remote Similarity NPD8074 Phase 3
0.6341 Remote Similarity NPD6412 Phase 2
0.6336 Remote Similarity NPD8517 Approved
0.6336 Remote Similarity NPD8515 Approved
0.6336 Remote Similarity NPD8516 Approved
0.6336 Remote Similarity NPD8513 Phase 3
0.6277 Remote Similarity NPD7260 Phase 2
0.6261 Remote Similarity NPD8522 Clinical (unspecified phase)
0.6241 Remote Similarity NPD7122 Discontinued
0.6214 Remote Similarity NPD2574 Discontinued
0.6214 Remote Similarity NPD3088 Approved
0.6214 Remote Similarity NPD3089 Approved
0.6214 Remote Similarity NPD3090 Approved
0.6214 Remote Similarity NPD2571 Approved
0.6214 Remote Similarity NPD3615 Approved
0.6214 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6214 Remote Similarity NPD3614 Approved
0.6214 Remote Similarity NPD2570 Approved
0.6214 Remote Similarity NPD4746 Phase 3
0.6214 Remote Similarity NPD2566 Approved
0.6214 Remote Similarity NPD4745 Approved
0.6214 Remote Similarity NPD3087 Approved
0.6214 Remote Similarity NPD3616 Approved
0.6214 Remote Similarity NPD2573 Approved
0.6176 Remote Similarity NPD7736 Approved
0.6174 Remote Similarity NPD6101 Approved
0.6174 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6165 Remote Similarity NPD6370 Approved
0.6165 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6165 Remote Similarity NPD7623 Phase 3
0.6154 Remote Similarity NPD5778 Approved
0.6154 Remote Similarity NPD5779 Approved
0.6142 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6134 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6127 Remote Similarity NPD4684 Phase 3
0.6127 Remote Similarity NPD4685 Phase 3
0.6127 Remote Similarity NPD4686 Approved
0.6126 Remote Similarity NPD7345 Approved
0.6126 Remote Similarity NPD6435 Approved
0.6121 Remote Similarity NPD7838 Discovery
0.6115 Remote Similarity NPD6845 Suspended
0.6106 Remote Similarity NPD5363 Approved
0.6103 Remote Similarity NPD7747 Phase 1
0.6103 Remote Similarity NPD7746 Phase 1
0.609 Remote Similarity NPD8269 Approved
0.609 Remote Similarity NPD8266 Approved
0.609 Remote Similarity NPD8267 Approved
0.609 Remote Similarity NPD8268 Approved
0.6074 Remote Similarity NPD7492 Approved
0.6068 Remote Similarity NPD6411 Approved
0.6063 Remote Similarity NPD6371 Approved
0.6053 Remote Similarity NPD5786 Approved
0.605 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6036 Remote Similarity NPD5369 Approved
0.6031 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6029 Remote Similarity NPD6616 Approved
0.6016 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6015 Remote Similarity NPD6054 Approved
0.6014 Remote Similarity NPD7319 Approved
0.6014 Remote Similarity NPD2575 Approved
0.6013 Remote Similarity NPD8414 Discontinued
0.5985 Remote Similarity NPD8293 Discontinued
0.5985 Remote Similarity NPD7078 Approved
0.5983 Remote Similarity NPD5785 Approved
0.597 Remote Similarity NPD6908 Approved
0.597 Remote Similarity NPD7739 Clinical (unspecified phase)
0.597 Remote Similarity NPD6909 Approved
0.5969 Remote Similarity NPD6430 Approved
0.5969 Remote Similarity NPD6429 Approved
0.5968 Remote Similarity NPD1407 Approved
0.5966 Remote Similarity NPD5282 Discontinued
0.5952 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5946 Remote Similarity NPD5368 Approved
0.594 Remote Similarity NPD7519 Approved
0.594 Remote Similarity NPD7517 Approved
0.594 Remote Similarity NPD7518 Approved
0.5923 Remote Similarity NPD1376 Discontinued
0.5912 Remote Similarity NPD7507 Approved
0.5909 Remote Similarity NPD6935 Phase 3
0.5909 Remote Similarity NPD6009 Approved
0.5909 Remote Similarity NPD6936 Clinical (unspecified phase)
0.5909 Remote Similarity NPD3732 Approved
0.5896 Remote Similarity NPD6319 Approved
0.5896 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5891 Remote Similarity NPD1719 Phase 1
0.5882 Remote Similarity NPD7604 Phase 2
0.5873 Remote Similarity NPD4211 Phase 1
0.5859 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5852 Remote Similarity NPD6015 Approved
0.5852 Remote Similarity NPD6016 Approved
0.5841 Remote Similarity NPD4270 Approved
0.5841 Remote Similarity NPD4269 Approved
0.5839 Remote Similarity NPD2611 Approved
0.5839 Remote Similarity NPD2612 Approved
0.5839 Remote Similarity NPD4217 Approved
0.5839 Remote Similarity NPD4216 Approved
0.5839 Remote Similarity NPD4215 Approved
0.5839 Remote Similarity NPD2608 Approved
0.5839 Remote Similarity NPD2610 Approved
0.5839 Remote Similarity NPD3132 Approved
0.5839 Remote Similarity NPD2609 Approved
0.5839 Remote Similarity NPD4218 Approved
0.5839 Remote Similarity NPD3131 Approved
0.5814 Remote Similarity NPD6420 Discontinued
0.5809 Remote Similarity NPD5988 Approved
0.5802 Remote Similarity NPD3731 Phase 3
0.5802 Remote Similarity NPD4632 Approved
0.5793 Remote Similarity NPD6334 Approved
0.5793 Remote Similarity NPD6333 Approved
0.5781 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5778 Remote Similarity NPD6059 Approved
0.575 Remote Similarity NPD1446 Phase 3
0.575 Remote Similarity NPD1447 Phase 3
0.575 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5725 Remote Similarity NPD6882 Approved
0.5724 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4832 Approved
0.5714 Remote Similarity NPD4831 Approved
0.5714 Remote Similarity NPD4830 Approved
0.5702 Remote Similarity NPD883 Phase 2
0.5702 Remote Similarity NPD882 Phase 2
0.569 Remote Similarity NPD1733 Clinical (unspecified phase)
0.568 Remote Similarity NPD5344 Discontinued
0.5664 Remote Similarity NPD4252 Approved
0.5652 Remote Similarity NPD7154 Phase 3
0.5649 Remote Similarity NPD2690 Discontinued
0.5645 Remote Similarity NPD2255 Approved
0.5635 Remote Similarity NPD7139 Approved
0.5635 Remote Similarity NPD7141 Clinical (unspecified phase)
0.5635 Remote Similarity NPD7140 Approved
0.5625 Remote Similarity NPD5357 Phase 1
0.5615 Remote Similarity NPD6941 Approved
0.5615 Remote Similarity NPD6413 Approved
0.561 Remote Similarity NPD4228 Discovery
0.5606 Remote Similarity NPD8297 Approved
0.5604 Remote Similarity NPD8319 Approved
0.5604 Remote Similarity NPD8320 Phase 1

Structure

External Identifiers

PubChem CID   5282036
ChEMBL   CHEMBL106096
ZINC  

Physicochemical Properties

Molecular Weight:  509.34
ALogP:  -0.1879
MLogP:  3.66
XLogP:  2.145
# Rotatable Bonds:  14
Polar Surface Area:  102.37
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  36

Download Data

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