Natural Product: NPC314550

Natural Product ID:  NPC314550
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H35NO4
Standard InCHIKey:  HFNMIOGEGCXSJX-BHBICBKASA-N
Standard InCHI:  InChI=1S/C27H35NO4/c1-4-5-6-7-10-19-15-22(30)25-24-17(3)14-18-12-13-21(29)26(31)23(18)16(2)9-8-11-20(24)27(32)28(19)25/h4-9,11-14,18-26,29-31H,10,15H2,1-3H3/b5-4+,7-6+,11-8-,16-9+,17-14+/t18-,19-,20+,21-,22+,23-,24-,25+,26-/m1/s1
Canonical SMILES:  C/C=C/C=C/C[C@@H]1C[C@@H]([C@@H]2N1C(=O)[C@@H]1[C@H]2/C(=C/[C@H]2C=C[C@H]([C@H]([C@@H]2/C(=C/C=C1)/C)O)O)/C)O
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
NPO31745 Streptomyces scsio 03032 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT397 Cell Line NCI-H460 Homo sapiens IC50 > 100000 nM 24547685
NPT395 Cell Line SF-268 Homo sapiens IC50 > 100000 nM 24547685
NPT83 Cell Line MCF7 Homo sapiens IC50 > 100000 nM 24547685
NPT20 Organism Candida albicans Candida albicans MIC > 128 ug/ml 24547685
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 128 ug/ml 24547685
NPT1261 Organism Bacillus thuringiensis Bacillus thuringiensis MIC > 128 ug/ml 24547685
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128 ug/ml 24547685
NPT19 Organism Escherichia coli Escherichia coli MIC > 128 ug/ml 24547685

  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 NPC314550 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
0.7358 Intermediate Similarity NPC324506
0.7193 Intermediate Similarity NPC188785
0.7043 Intermediate Similarity NPC77703
0.7034 Intermediate Similarity NPC271562
0.696 Remote Similarity NPC470788
0.6916 Remote Similarity NPC475975
0.6838 Remote Similarity NPC475598
0.6838 Remote Similarity NPC9687
0.6838 Remote Similarity NPC474855
0.6838 Remote Similarity NPC293377
0.6838 Remote Similarity NPC273907
0.6838 Remote Similarity NPC76785
0.6838 Remote Similarity NPC151706
0.6838 Remote Similarity NPC475318
0.6838 Remote Similarity NPC49577
0.6838 Remote Similarity NPC260045
0.6838 Remote Similarity NPC79465
0.6838 Remote Similarity NPC474787
0.6838 Remote Similarity NPC118099
0.6838 Remote Similarity NPC476102
0.6838 Remote Similarity NPC90194
0.6838 Remote Similarity NPC474811
0.6833 Remote Similarity NPC476276
0.6767 Remote Similarity NPC120335
0.6746 Remote Similarity NPC235625
0.6718 Remote Similarity NPC476951
0.6694 Remote Similarity NPC207820
0.6694 Remote Similarity NPC474099
0.6692 Remote Similarity NPC97580
0.6667 Remote Similarity NPC476328
0.664 Remote Similarity NPC272166
0.6639 Remote Similarity NPC474827
0.6639 Remote Similarity NPC68001
0.6639 Remote Similarity NPC199831
0.6639 Remote Similarity NPC474828
0.6617 Remote Similarity NPC470539
0.6614 Remote Similarity NPC17581
0.6614 Remote Similarity NPC476155
0.6591 Remote Similarity NPC247902
0.6591 Remote Similarity NPC262880
0.6589 Remote Similarity NPC315188
0.6587 Remote Similarity NPC66007
0.6567 Remote Similarity NPC41162
0.6549 Remote Similarity NPC276822
0.6515 Remote Similarity NPC309525
0.6512 Remote Similarity NPC11379
0.65 Remote Similarity NPC476877
0.6481 Remote Similarity NPC226982
0.6481 Remote Similarity NPC277341
0.6466 Remote Similarity NPC469739
0.6452 Remote Similarity NPC251122
0.6452 Remote Similarity NPC469603
0.6423 Remote Similarity NPC140251
0.6423 Remote Similarity NPC307903
0.6417 Remote Similarity NPC474244
0.64 Remote Similarity NPC58281
0.6393 Remote Similarity NPC476876
0.6385 Remote Similarity NPC477143
0.6385 Remote Similarity NPC477140
0.6376 Remote Similarity NPC475342
0.6357 Remote Similarity NPC470300
0.6356 Remote Similarity NPC52820
0.6351 Remote Similarity NPC315809
0.6351 Remote Similarity NPC314050
0.6336 Remote Similarity NPC23963
0.6328 Remote Similarity NPC288629
0.6324 Remote Similarity NPC477988
0.632 Remote Similarity NPC63511
0.632 Remote Similarity NPC473232
0.6316 Remote Similarity NPC36254
0.6311 Remote Similarity NPC64168
0.6299 Remote Similarity NPC130124
0.6299 Remote Similarity NPC193471
0.6288 Remote Similarity NPC273185
0.6231 Remote Similarity NPC476952
0.6231 Remote Similarity NPC201889
0.6231 Remote Similarity NPC106791
0.623 Remote Similarity NPC279833
0.623 Remote Similarity NPC6271
0.623 Remote Similarity NPC265094
0.623 Remote Similarity NPC173690
0.623 Remote Similarity NPC80439
0.6228 Remote Similarity NPC316186
0.622 Remote Similarity NPC476269
0.6218 Remote Similarity NPC476344
0.6202 Remote Similarity NPC30196
0.6194 Remote Similarity NPC313342
0.6194 Remote Similarity NPC313333
0.6194 Remote Similarity NPC314512
0.6194 Remote Similarity NPC314451
0.6186 Remote Similarity NPC150041
0.6186 Remote Similarity NPC40663
0.6179 Remote Similarity NPC469604
0.6154 Remote Similarity NPC6531
0.6154 Remote Similarity NPC315848
0.6154 Remote Similarity NPC315210
0.6148 Remote Similarity NPC474371
0.6148 Remote Similarity NPC473289
0.6143 Remote Similarity NPC99864
0.6142 Remote Similarity NPC476875
0.6142 Remote Similarity NPC168758
0.6142 Remote Similarity NPC181510
0.6142 Remote Similarity NPC316984
0.6142 Remote Similarity NPC30911
0.6142 Remote Similarity NPC47857
0.6138 Remote Similarity NPC251439
0.6136 Remote Similarity NPC88190
0.6136 Remote Similarity NPC230849
0.6121 Remote Similarity NPC17143
0.6121 Remote Similarity NPC47230
0.6121 Remote Similarity NPC476019
0.6107 Remote Similarity NPC284656
0.6099 Remote Similarity NPC287401
0.6098 Remote Similarity NPC474563
0.6096 Remote Similarity NPC476978
0.6094 Remote Similarity NPC261750
0.6094 Remote Similarity NPC60432
0.6094 Remote Similarity NPC1111
0.609 Remote Similarity NPC160688
0.6087 Remote Similarity NPC322966
0.608 Remote Similarity NPC475800
0.6071 Remote Similarity NPC120420
0.6068 Remote Similarity NPC314500
0.6063 Remote Similarity NPC476290
0.6056 Remote Similarity NPC45813
0.6054 Remote Similarity NPC315266
0.6053 Remote Similarity NPC322672
0.6048 Remote Similarity NPC133420
0.6031 Remote Similarity NPC476190
0.6031 Remote Similarity NPC475642
0.6029 Remote Similarity NPC477987
0.6029 Remote Similarity NPC329401
0.6014 Remote Similarity NPC262077
0.6 Remote Similarity NPC323168
0.6 Remote Similarity NPC103391
0.6 Remote Similarity NPC471768
0.6 Remote Similarity NPC473525
0.6 Remote Similarity NPC314629
0.6 Remote Similarity NPC477990
0.6 Remote Similarity NPC111162
0.6 Remote Similarity NPC293550
0.6 Remote Similarity NPC472536
0.6 Remote Similarity NPC477989
0.5985 Remote Similarity NPC314282
0.5985 Remote Similarity NPC471673
0.5985 Remote Similarity NPC471109
0.5985 Remote Similarity NPC174463
0.5984 Remote Similarity NPC474725
0.5984 Remote Similarity NPC316730
0.5984 Remote Similarity NPC26597
0.5969 Remote Similarity NPC478024
0.5968 Remote Similarity NPC471260
0.5966 Remote Similarity NPC473162
0.5966 Remote Similarity NPC313265
0.5965 Remote Similarity NPC319913
0.5959 Remote Similarity NPC309450
0.5959 Remote Similarity NPC304299
0.5959 Remote Similarity NPC247776
0.5959 Remote Similarity NPC475278
0.5959 Remote Similarity NPC475266
0.5959 Remote Similarity NPC71866
0.5957 Remote Similarity NPC130309
0.5956 Remote Similarity NPC470654
0.5956 Remote Similarity NPC470653
0.5956 Remote Similarity NPC470650
0.5956 Remote Similarity NPC469999
0.5954 Remote Similarity NPC296043
0.5952 Remote Similarity NPC251330
0.5952 Remote Similarity NPC176773
0.5946 Remote Similarity NPC476560
0.594 Remote Similarity NPC35037
0.5933 Remote Similarity NPC240848
0.5929 Remote Similarity NPC477220
0.5926 Remote Similarity NPC200964
0.5923 Remote Similarity NPC469597
0.5921 Remote Similarity NPC162104
0.5918 Remote Similarity NPC77905
0.5912 Remote Similarity NPC474082
0.5912 Remote Similarity NPC6975
0.5912 Remote Similarity NPC175726
0.5909 Remote Similarity NPC473446
0.5909 Remote Similarity NPC329216
0.5909 Remote Similarity NPC473695
0.5906 Remote Similarity NPC70235
0.5906 Remote Similarity NPC470072
0.5906 Remote Similarity NPC314358
0.5891 Remote Similarity NPC21713
0.5891 Remote Similarity NPC474411
0.5891 Remote Similarity NPC474431
0.5891 Remote Similarity NPC475608
0.5887 Remote Similarity NPC200589
0.5887 Remote Similarity NPC133089
0.5887 Remote Similarity NPC475149
0.5887 Remote Similarity NPC471097
0.5882 Remote Similarity NPC66855
0.5878 Remote Similarity NPC52748
0.5873 Remote Similarity NPC271269
0.5873 Remote Similarity NPC471259
0.5873 Remote Similarity NPC472615
0.5873 Remote Similarity NPC154601

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314550 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 NPD7333 Discontinued
0.664 Remote Similarity NPD1000 Clinical (unspecified phase)
0.6269 Remote Similarity NPD8273 Phase 1
0.6231 Remote Similarity NPD7641 Discontinued
0.6194 Remote Similarity NPD8341 Approved
0.6194 Remote Similarity NPD8299 Approved
0.6194 Remote Similarity NPD8342 Approved
0.6194 Remote Similarity NPD8340 Approved
0.6143 Remote Similarity NPD8415 Approved
0.6142 Remote Similarity NPD2204 Approved
0.6099 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6084 Remote Similarity NPD8173 Phase 2
0.6084 Remote Similarity NPD8172 Phase 2
0.6047 Remote Similarity NPD1376 Discontinued
0.6029 Remote Similarity NPD8451 Approved
0.5985 Remote Similarity NPD8448 Approved
0.5942 Remote Similarity NPD6792 Phase 3
0.5938 Remote Similarity NPD6420 Discontinued
0.5935 Remote Similarity NPD7118 Clinical (unspecified phase)
0.5929 Remote Similarity NPD3661 Approved
0.5929 Remote Similarity NPD3664 Approved
0.5929 Remote Similarity NPD3662 Phase 3
0.5929 Remote Similarity NPD3663 Approved
0.5926 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5926 Remote Similarity NPD7623 Phase 3
0.5915 Remote Similarity NPD4619 Approved
0.5915 Remote Similarity NPD4621 Approved
0.5912 Remote Similarity NPD3677 Clinical (unspecified phase)
0.5896 Remote Similarity NPD7299 Clinical (unspecified phase)
0.587 Remote Similarity NPD7747 Phase 1
0.587 Remote Similarity NPD7746 Phase 1
0.5857 Remote Similarity NPD8390 Approved
0.5857 Remote Similarity NPD8392 Approved
0.5857 Remote Similarity NPD8391 Approved
0.5852 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6311 Approved
0.5833 Remote Similarity NPD6309 Approved
0.5833 Remote Similarity NPD6310 Approved
0.58 Remote Similarity NPD6676 Phase 2
0.5797 Remote Similarity NPD2584 Suspended
0.5789 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5786 Remote Similarity NPD2628 Approved
0.5786 Remote Similarity NPD2160 Approved
0.5786 Remote Similarity NPD2627 Approved
0.5786 Remote Similarity NPD2626 Approved
0.5786 Remote Similarity NPD2625 Approved
0.5786 Remote Similarity NPD2159 Approved
0.5775 Remote Similarity NPD2613 Approved
0.5769 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5766 Remote Similarity NPD7642 Approved
0.5764 Remote Similarity NPD7086 Phase 2
0.575 Remote Similarity NPD5779 Approved
0.575 Remote Similarity NPD5778 Approved
0.5738 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5725 Remote Similarity NPD2610 Approved
0.5725 Remote Similarity NPD2611 Approved
0.5725 Remote Similarity NPD4216 Approved
0.5725 Remote Similarity NPD2608 Approved
0.5725 Remote Similarity NPD4215 Approved
0.5725 Remote Similarity NPD3132 Approved
0.5725 Remote Similarity NPD2612 Approved
0.5725 Remote Similarity NPD3131 Approved
0.5725 Remote Similarity NPD2609 Approved
0.5725 Remote Similarity NPD4217 Approved
0.5725 Remote Similarity NPD4218 Approved
0.5724 Remote Similarity NPD8416 Discontinued
0.5714 Remote Similarity NPD7613 Discontinued
0.5704 Remote Similarity NPD3159 Discontinued
0.5704 Remote Similarity NPD5759 Approved
0.5704 Remote Similarity NPD5204 Approved
0.5695 Remote Similarity NPD2575 Approved
0.5685 Remote Similarity NPD7113 Clinical (unspecified phase)
0.5676 Remote Similarity NPD8384 Approved
0.5667 Remote Similarity NPD7983 Approved
0.5655 Remote Similarity NPD3615 Approved
0.5655 Remote Similarity NPD2574 Discontinued
0.5655 Remote Similarity NPD2572 Clinical (unspecified phase)
0.5655 Remote Similarity NPD3614 Approved
0.5655 Remote Similarity NPD3088 Approved
0.5655 Remote Similarity NPD4746 Phase 3
0.5655 Remote Similarity NPD3087 Approved
0.5655 Remote Similarity NPD2571 Approved
0.5655 Remote Similarity NPD2570 Approved
0.5655 Remote Similarity NPD3616 Approved
0.5655 Remote Similarity NPD2566 Approved
0.5655 Remote Similarity NPD4745 Approved
0.5655 Remote Similarity NPD2573 Approved
0.5655 Remote Similarity NPD3089 Approved
0.5655 Remote Similarity NPD3090 Approved
0.5652 Remote Similarity NPD5362 Discontinued
0.5646 Remote Similarity NPD5725 Approved
0.5638 Remote Similarity NPD7512 Approved
0.5638 Remote Similarity NPD7511 Approved
0.5625 Remote Similarity NPD4497 Clinical (unspecified phase)
0.5625 Remote Similarity NPD4794 Discontinued
0.562 Remote Similarity NPD8444 Approved
0.562 Remote Similarity NPD5781 Clinical (unspecified phase)
0.562 Remote Similarity NPD8274 Clinical (unspecified phase)
0.561 Remote Similarity NPD7839 Suspended

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3109454
ZINC  

Physicochemical Properties

Molecular Weight:  437.26
ALogP:  1.5914
MLogP:  3.88
XLogP:  2.558
# Rotatable Bonds:  9
Polar Surface Area:  81
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  32

Download Data

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