Natural Product: NPC156379

Natural Product ID:  NPC156379
Common Name:   6-Hydroxyscytophycin B
IUPAC Name:   N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16,17-dihydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide
Synonyms:  
Molecular Formula:   C45H73NO13
Standard InCHIKey:  ZTRATTIWNXCURD-YRCXACEXSA-N
Standard InCHI:  InChI=1S/C45H73NO13/c1-27-15-18-41(51)59-44(32(6)42(52)28(2)16-17-35(48)30(4)43(56-11)29(3)19-20-46(7)26-47)31(5)38(53-8)24-40(55-10)45(25-57-45)39(54-9)23-34-14-12-13-33(58-34)22-37(50)36(49)21-27/h12-13,15,18-21,26,28-34,36-40,42-44,49-50,52H,14,16-17,22-25H2,1-11H3/b18-15+,20-19+,27-21+/t28-,29+,30-,31-,32-,33-,34-,36-,37+,38+,39-,40-,42-,43+,44-,45-/m0/s1
Canonical SMILES:  CO[C@@H]([C@H](C(=O)CC[C@@H]([C@@H]([C@@H]([C@H]1OC(=O)/C=C/C(=C/[C@H](O)[C@H](O)C[C@H]2O[C@H](C[C@@H]([C@]3([C@H](C[C@H]([C@@H]1C)OC)OC)CO3)OC)CC=C2)/C)C)O)C)C)[C@@H](/C=C/N(C=O)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
NPO32473 scytonema Genus Scytonemataceae Bacteria PMID[2128517]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 0.001 ug/ml Open TG-GATES in vivo data: Hematology

  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 NPC156379 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 NPC475383
0.982 High Similarity NPC241050
0.964 High Similarity NPC475642
0.9189 High Similarity NPC21713
0.9189 High Similarity NPC475608
0.7876 Intermediate Similarity NPC161855
0.7788 Intermediate Similarity NPC40812
0.7778 Intermediate Similarity NPC316133
0.7778 Intermediate Similarity NPC318445
0.7769 Intermediate Similarity NPC316401
0.7699 Intermediate Similarity NPC473291
0.7652 Intermediate Similarity NPC475053
0.7581 Intermediate Similarity NPC6531
0.7568 Intermediate Similarity NPC313670
0.7565 Intermediate Similarity NPC255592
0.7565 Intermediate Similarity NPC308567
0.7565 Intermediate Similarity NPC83895
0.7565 Intermediate Similarity NPC261377
0.7565 Intermediate Similarity NPC187761
0.7544 Intermediate Similarity NPC476315
0.754 Intermediate Similarity NPC477140
0.754 Intermediate Similarity NPC477143
0.752 Intermediate Similarity NPC156336
0.752 Intermediate Similarity NPC200412
0.752 Intermediate Similarity NPC120599
0.75 Intermediate Similarity NPC30196
0.75 Intermediate Similarity NPC314629
0.75 Intermediate Similarity NPC288876
0.75 Intermediate Similarity NPC315783
0.7462 Intermediate Similarity NPC314282
0.7458 Intermediate Similarity NPC472755
0.7456 Intermediate Similarity NPC270013
0.7456 Intermediate Similarity NPC36954
0.7456 Intermediate Similarity NPC14961
0.7442 Intermediate Similarity NPC313342
0.7442 Intermediate Similarity NPC314451
0.7442 Intermediate Similarity NPC313333
0.7442 Intermediate Similarity NPC314512
0.744 Intermediate Similarity NPC471146
0.744 Intermediate Similarity NPC471145
0.7395 Intermediate Similarity NPC474741
0.7373 Intermediate Similarity NPC149371
0.7373 Intermediate Similarity NPC472754
0.7373 Intermediate Similarity NPC473596
0.7368 Intermediate Similarity NPC474035
0.7368 Intermediate Similarity NPC81386
0.7355 Intermediate Similarity NPC193765
0.7355 Intermediate Similarity NPC473807
0.7348 Intermediate Similarity NPC315387
0.7348 Intermediate Similarity NPC316205
0.7328 Intermediate Similarity NPC471940
0.7311 Intermediate Similarity NPC475871
0.7311 Intermediate Similarity NPC475945
0.7304 Intermediate Similarity NPC272050
0.7297 Intermediate Similarity NPC477959
0.7295 Intermediate Similarity NPC313668
0.7295 Intermediate Similarity NPC315836
0.7288 Intermediate Similarity NPC47880
0.7288 Intermediate Similarity NPC316250
0.7288 Intermediate Similarity NPC472753
0.7281 Intermediate Similarity NPC212486
0.7281 Intermediate Similarity NPC476300
0.7281 Intermediate Similarity NPC475912
0.728 Intermediate Similarity NPC67290
0.728 Intermediate Similarity NPC138303
0.728 Intermediate Similarity NPC133677
0.7273 Intermediate Similarity NPC266514
0.7273 Intermediate Similarity NPC477513
0.7273 Intermediate Similarity NPC251330
0.7258 Intermediate Similarity NPC1111
0.7258 Intermediate Similarity NPC66108
0.7258 Intermediate Similarity NPC261750
0.7257 Intermediate Similarity NPC474761
0.7257 Intermediate Similarity NPC3952
0.7257 Intermediate Similarity NPC476004
0.7252 Intermediate Similarity NPC471939
0.725 Intermediate Similarity NPC100487
0.7241 Intermediate Similarity NPC473859
0.7241 Intermediate Similarity NPC230800
0.7241 Intermediate Similarity NPC279621
0.7236 Intermediate Similarity NPC477997
0.7227 Intermediate Similarity NPC474747
0.7207 Intermediate Similarity NPC122502
0.7207 Intermediate Similarity NPC315395
0.7207 Intermediate Similarity NPC164393
0.7207 Intermediate Similarity NPC316426
0.72 Intermediate Similarity NPC106395
0.72 Intermediate Similarity NPC46269
0.7193 Intermediate Similarity NPC30515
0.7193 Intermediate Similarity NPC184463
0.719 Intermediate Similarity NPC472751
0.719 Intermediate Similarity NPC271269
0.719 Intermediate Similarity NPC472749
0.719 Intermediate Similarity NPC154601
0.719 Intermediate Similarity NPC476738
0.719 Intermediate Similarity NPC476740
0.7188 Intermediate Similarity NPC477092
0.7176 Intermediate Similarity NPC473919
0.7176 Intermediate Similarity NPC473709
0.7167 Intermediate Similarity NPC309398
0.7155 Intermediate Similarity NPC471142
0.7155 Intermediate Similarity NPC475659
0.7154 Intermediate Similarity NPC15218
0.7154 Intermediate Similarity NPC38154
0.7143 Intermediate Similarity NPC164598
0.7143 Intermediate Similarity NPC476270
0.7143 Intermediate Similarity NPC474742
0.7143 Intermediate Similarity NPC474339
0.7143 Intermediate Similarity NPC86005
0.7143 Intermediate Similarity NPC236999
0.7143 Intermediate Similarity NPC201718
0.713 Intermediate Similarity NPC476049
0.712 Intermediate Similarity NPC76550
0.712 Intermediate Similarity NPC474497
0.712 Intermediate Similarity NPC275100
0.712 Intermediate Similarity NPC123855
0.712 Intermediate Similarity NPC138757
0.712 Intermediate Similarity NPC317687
0.712 Intermediate Similarity NPC60432
0.7119 Intermediate Similarity NPC475653
0.7119 Intermediate Similarity NPC474213
0.7119 Intermediate Similarity NPC473326
0.7119 Intermediate Similarity NPC471144
0.7117 Intermediate Similarity NPC137033
0.7109 Intermediate Similarity NPC475401
0.7107 Intermediate Similarity NPC472748
0.7107 Intermediate Similarity NPC472756
0.7107 Intermediate Similarity NPC477510
0.7107 Intermediate Similarity NPC471143
0.7107 Intermediate Similarity NPC203659
0.7105 Intermediate Similarity NPC473448
0.7105 Intermediate Similarity NPC475748
0.7105 Intermediate Similarity NPC51004
0.7099 Intermediate Similarity NPC473802
0.7099 Intermediate Similarity NPC469789
0.7094 Intermediate Similarity NPC180722
0.7094 Intermediate Similarity NPC195645
0.7094 Intermediate Similarity NPC165332
0.7094 Intermediate Similarity NPC477921
0.708 Intermediate Similarity NPC227379
0.708 Intermediate Similarity NPC281516
0.708 Intermediate Similarity NPC201046
0.708 Intermediate Similarity NPC153805
0.708 Intermediate Similarity NPC474471
0.7077 Intermediate Similarity NPC473228
0.7077 Intermediate Similarity NPC470829
0.7073 Intermediate Similarity NPC233379
0.7073 Intermediate Similarity NPC55972
0.7073 Intermediate Similarity NPC14862
0.7073 Intermediate Similarity NPC327286
0.7073 Intermediate Similarity NPC169888
0.7073 Intermediate Similarity NPC474664
0.7069 Intermediate Similarity NPC303942
0.7069 Intermediate Similarity NPC57405
0.7069 Intermediate Similarity NPC5418
0.7069 Intermediate Similarity NPC474247
0.7063 Intermediate Similarity NPC469496
0.7063 Intermediate Similarity NPC469463
0.7063 Intermediate Similarity NPC469454
0.7059 Intermediate Similarity NPC475949
0.7054 Intermediate Similarity NPC470186
0.7054 Intermediate Similarity NPC67917
0.7054 Intermediate Similarity NPC314268
0.7054 Intermediate Similarity NPC313802
0.7054 Intermediate Similarity NPC477515
0.7049 Intermediate Similarity NPC469852
0.7049 Intermediate Similarity NPC223450
0.7049 Intermediate Similarity NPC243998
0.7043 Intermediate Similarity NPC158061
0.7043 Intermediate Similarity NPC476705
0.704 Intermediate Similarity NPC317107
0.704 Intermediate Similarity NPC287311
0.7034 Intermediate Similarity NPC475332
0.7034 Intermediate Similarity NPC120299
0.7031 Intermediate Similarity NPC475305
0.7025 Intermediate Similarity NPC104161
0.7025 Intermediate Similarity NPC475367
0.7025 Intermediate Similarity NPC472750
0.7025 Intermediate Similarity NPC118902
0.7025 Intermediate Similarity NPC473816
0.7025 Intermediate Similarity NPC469980
0.7025 Intermediate Similarity NPC110989
0.7025 Intermediate Similarity NPC472747
0.7025 Intermediate Similarity NPC474581
0.7023 Intermediate Similarity NPC23786
0.7023 Intermediate Similarity NPC470265
0.7018 Intermediate Similarity NPC83423
0.7018 Intermediate Similarity NPC307411
0.7009 Intermediate Similarity NPC477922
0.7009 Intermediate Similarity NPC107476
0.7008 Intermediate Similarity NPC265290
0.7008 Intermediate Similarity NPC305044
0.7 Intermediate Similarity NPC185141
0.7 Intermediate Similarity NPC133907
0.7 Intermediate Similarity NPC110443
0.7 Intermediate Similarity NPC46998
0.7 Intermediate Similarity NPC128733
0.7 Intermediate Similarity NPC475003
0.6992 Remote Similarity NPC324327
0.6992 Remote Similarity NPC293112

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC156379 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
0.7937 Intermediate Similarity NPD8273 Phase 1
0.7778 Intermediate Similarity NPD7642 Approved
0.7658 Intermediate Similarity NPD7983 Approved
0.7568 Intermediate Similarity NPD7838 Discovery
0.7519 Intermediate Similarity NPD8451 Approved
0.75 Intermediate Similarity NPD7829 Approved
0.75 Intermediate Similarity NPD7830 Approved
0.7462 Intermediate Similarity NPD8448 Approved
0.7442 Intermediate Similarity NPD8299 Approved
0.7442 Intermediate Similarity NPD8340 Approved
0.7442 Intermediate Similarity NPD8341 Approved
0.7442 Intermediate Similarity NPD8342 Approved
0.7411 Intermediate Similarity NPD6698 Approved
0.7411 Intermediate Similarity NPD46 Approved
0.7381 Intermediate Similarity NPD7641 Discontinued
0.7293 Intermediate Similarity NPD8390 Approved
0.7293 Intermediate Similarity NPD8392 Approved
0.7293 Intermediate Similarity NPD8391 Approved
0.7111 Intermediate Similarity NPD7260 Phase 2
0.7094 Intermediate Similarity NPD7839 Suspended
0.7077 Intermediate Similarity NPD8444 Approved
0.6975 Remote Similarity NPD8029 Clinical (unspecified phase)
0.696 Remote Similarity NPD6371 Approved
0.6906 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6899 Remote Similarity NPD7500 Approved
0.6855 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6838 Remote Similarity NPD5779 Approved
0.6838 Remote Similarity NPD5778 Approved
0.6835 Remote Similarity NPD8415 Approved
0.6818 Remote Similarity NPD8513 Phase 3
0.6815 Remote Similarity NPD8074 Phase 3
0.6767 Remote Similarity NPD8080 Discontinued
0.6721 Remote Similarity NPD5344 Discontinued
0.6692 Remote Similarity NPD8515 Approved
0.6692 Remote Similarity NPD8516 Approved
0.6692 Remote Similarity NPD8517 Approved
0.6691 Remote Similarity NPD6845 Suspended
0.6641 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6641 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6641 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6641 Remote Similarity NPD7115 Discovery
0.6639 Remote Similarity NPD6648 Approved
0.6569 Remote Similarity NPD7746 Phase 1
0.6569 Remote Similarity NPD7747 Phase 1
0.6567 Remote Similarity NPD6921 Approved
0.6567 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6519 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6519 Remote Similarity NPD7623 Phase 3
0.6446 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6406 Remote Similarity NPD6686 Approved
0.6382 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6379 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6327 Remote Similarity NPD8384 Approved
0.6324 Remote Similarity NPD7739 Clinical (unspecified phase)
0.6308 Remote Similarity NPD6421 Discontinued
0.6303 Remote Similarity NPD6101 Approved
0.6303 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6276 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6269 Remote Similarity NPD7505 Discontinued
0.625 Remote Similarity NPD7299 Clinical (unspecified phase)
0.625 Remote Similarity NPD5785 Approved
0.6212 Remote Similarity NPD6053 Discontinued
0.6198 Remote Similarity NPD6411 Approved
0.616 Remote Similarity NPD4225 Approved
0.6142 Remote Similarity NPD8082 Approved
0.6142 Remote Similarity NPD8139 Approved
0.6142 Remote Similarity NPD8083 Approved
0.6142 Remote Similarity NPD8085 Approved
0.6142 Remote Similarity NPD8086 Approved
0.6142 Remote Similarity NPD8138 Approved
0.6142 Remote Similarity NPD8084 Approved
0.6131 Remote Similarity NPD6319 Approved
0.6127 Remote Similarity NPD7319 Approved
0.6102 Remote Similarity NPD5363 Approved
0.6094 Remote Similarity NPD8275 Approved
0.6094 Remote Similarity NPD8276 Approved
0.6056 Remote Similarity NPD8336 Approved
0.6056 Remote Similarity NPD8337 Approved
0.605 Remote Similarity NPD5786 Approved
0.6047 Remote Similarity NPD8081 Approved
0.6031 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6028 Remote Similarity NPD7507 Approved
0.6015 Remote Similarity NPD2204 Approved
0.6 Remote Similarity NPD7604 Phase 2
0.6 Remote Similarity NPD8393 Approved
0.6 Remote Similarity NPD8338 Approved
0.5985 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5971 Remote Similarity NPD8269 Approved
0.5971 Remote Similarity NPD8267 Approved
0.5971 Remote Similarity NPD8268 Approved
0.5971 Remote Similarity NPD8266 Approved
0.597 Remote Similarity NPD8297 Approved
0.5968 Remote Similarity NPD5282 Discontinued
0.5935 Remote Similarity NPD7637 Suspended
0.5932 Remote Similarity NPD7154 Phase 3
0.5926 Remote Similarity NPD1376 Discontinued
0.5909 Remote Similarity NPD2575 Approved
0.5902 Remote Similarity NPD1695 Approved
0.5896 Remote Similarity NPD7601 Clinical (unspecified phase)
0.5887 Remote Similarity NPD8328 Phase 3
0.5865 Remote Similarity NPD6413 Approved
0.5857 Remote Similarity NPD6909 Approved
0.5857 Remote Similarity NPD6908 Approved
0.5857 Remote Similarity NPD7503 Approved
0.5847 Remote Similarity NPD5209 Approved
0.5847 Remote Similarity NPD6435 Approved
0.5847 Remote Similarity NPD4270 Approved
0.5847 Remote Similarity NPD4269 Approved
0.5845 Remote Similarity NPD7492 Approved
0.5833 Remote Similarity NPD8307 Discontinued
0.5833 Remote Similarity NPD7736 Approved
0.5833 Remote Similarity NPD8140 Approved
0.5821 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5813 Remote Similarity NPD8414 Discontinued
0.5809 Remote Similarity NPD4632 Approved
0.5804 Remote Similarity NPD6616 Approved
0.5786 Remote Similarity NPD6054 Approved
0.5769 Remote Similarity NPD8301 Approved
0.5769 Remote Similarity NPD8300 Approved
0.5764 Remote Similarity NPD7078 Approved
0.5763 Remote Similarity NPD5369 Approved
0.5758 Remote Similarity NPD7333 Discontinued
0.5746 Remote Similarity NPD8305 Approved
0.5746 Remote Similarity NPD8306 Approved
0.5738 Remote Similarity NPD4250 Approved
0.5738 Remote Similarity NPD4251 Approved
0.5736 Remote Similarity NPD7639 Approved
0.5736 Remote Similarity NPD7640 Approved
0.5723 Remote Similarity NPD8368 Discontinued
0.5704 Remote Similarity NPD6370 Approved
0.5704 Remote Similarity NPD8087 Discontinued
0.5678 Remote Similarity NPD4252 Approved
0.5678 Remote Similarity NPD5368 Approved
0.5678 Remote Similarity NPD4821 Approved
0.5678 Remote Similarity NPD4822 Approved
0.5678 Remote Similarity NPD4819 Approved
0.5678 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5678 Remote Similarity NPD4820 Approved
0.5672 Remote Similarity NPD6881 Approved
0.5672 Remote Similarity NPD6899 Approved
0.5667 Remote Similarity NPD6110 Phase 1
0.5667 Remote Similarity NPD3089 Approved
0.5667 Remote Similarity NPD3087 Approved
0.5667 Remote Similarity NPD2570 Approved
0.5667 Remote Similarity NPD2572 Clinical (unspecified phase)
0.5667 Remote Similarity NPD3614 Approved
0.5667 Remote Similarity NPD3616 Approved
0.5667 Remote Similarity NPD4745 Approved
0.5667 Remote Similarity NPD2573 Approved
0.5667 Remote Similarity NPD3615 Approved
0.5667 Remote Similarity NPD2571 Approved
0.5667 Remote Similarity NPD2566 Approved
0.5667 Remote Similarity NPD3090 Approved
0.5667 Remote Similarity NPD3088 Approved
0.5667 Remote Similarity NPD2574 Discontinued
0.5667 Remote Similarity NPD5362 Discontinued
0.5667 Remote Similarity NPD4746 Phase 3
0.5662 Remote Similarity NPD6650 Approved
0.5662 Remote Similarity NPD8130 Phase 1
0.5662 Remote Similarity NPD6649 Approved
0.5659 Remote Similarity NPD7638 Approved
0.5656 Remote Similarity NPD4249 Approved
0.5655 Remote Similarity NPD8293 Discontinued
0.5652 Remote Similarity NPD8039 Approved
0.5639 Remote Similarity NPD6640 Phase 3
0.5634 Remote Similarity NPD6015 Approved
0.5634 Remote Similarity NPD6016 Approved
0.5625 Remote Similarity NPD8407 Phase 2
0.5625 Remote Similarity NPD4806 Approved
0.5625 Remote Similarity NPD4807 Approved
0.562 Remote Similarity NPD6882 Approved

Structure

External Identifiers

PubChem CID   6449864
ChEMBL   CHEMBL503920
ZINC  

Physicochemical Properties

Molecular Weight:  835.51
ALogP:  -1.4296
MLogP:  4.87
XLogP:  2.625
# Rotatable Bonds:  30
Polar Surface Area:  183.05
# H-Bond Aceptor:  14
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  59

Download Data

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