Natural Product: NPC314500

Natural Product ID:  NPC314500
Common Name:   4-(2-Hydroxy-5,7-Dimethyl-4-Oxodeca-6,8-Dienyl)Piperidine-2,6-Dione
IUPAC Name:   4-(2-hydroxy-5,7-dimethyl-4-oxodeca-6,8-dienyl)piperidine-2,6-dione
Synonyms:  
Molecular Formula:   C17H25NO4
Standard InCHIKey:  ATUBIBZJAGAIBW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(20)10-14(19)7-13-8-16(21)18-17(22)9-13/h4-6,12-14,19H,7-10H2,1-3H3,(H,18,21,22)
Canonical SMILES:  CC=CC(=CC(C(=O)CC(CC1CC(=NC(=O)C1)O)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
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO13221 Streptomyces himastatinicus Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 1584.9 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5804.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8199.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set

  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 NPC314500 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
0.7843 Intermediate Similarity NPC271269
0.7841 Intermediate Similarity NPC200085
0.7841 Intermediate Similarity NPC253703
0.7841 Intermediate Similarity NPC51695
0.7841 Intermediate Similarity NPC314858
0.7767 Intermediate Similarity NPC251330
0.7525 Intermediate Similarity NPC473224
0.75 Intermediate Similarity NPC154601
0.7426 Intermediate Similarity NPC234542
0.717 Intermediate Similarity NPC473252
0.713 Intermediate Similarity NPC133729
0.7103 Intermediate Similarity NPC475800
0.7075 Intermediate Similarity NPC14537
0.6972 Remote Similarity NPC474725
0.6972 Remote Similarity NPC473578
0.6939 Remote Similarity NPC86005
0.6893 Remote Similarity NPC195645
0.6893 Remote Similarity NPC165332
0.6893 Remote Similarity NPC180722
0.6881 Remote Similarity NPC475150
0.6863 Remote Similarity NPC5418
0.6852 Remote Similarity NPC472615
0.6827 Remote Similarity NPC265662
0.6813 Remote Similarity NPC476649
0.6804 Remote Similarity NPC136114
0.68 Remote Similarity NPC118193
0.68 Remote Similarity NPC256902
0.6792 Remote Similarity NPC316250
0.6786 Remote Similarity NPC469865
0.6768 Remote Similarity NPC477959
0.6759 Remote Similarity NPC472616
0.6757 Remote Similarity NPC46764
0.6757 Remote Similarity NPC476290
0.6724 Remote Similarity NPC323532
0.6703 Remote Similarity NPC326024
0.67 Remote Similarity NPC316186
0.6696 Remote Similarity NPC21713
0.6696 Remote Similarity NPC475608
0.6667 Remote Similarity NPC474563
0.6637 Remote Similarity NPC476269
0.6637 Remote Similarity NPC7797
0.66 Remote Similarity NPC298904
0.6577 Remote Similarity NPC70235
0.6577 Remote Similarity NPC140251
0.6577 Remote Similarity NPC307903
0.6571 Remote Similarity NPC123141
0.6569 Remote Similarity NPC313670
0.6556 Remote Similarity NPC250928
0.6556 Remote Similarity NPC10758
0.6552 Remote Similarity NPC316325
0.6552 Remote Similarity NPC188010
0.6552 Remote Similarity NPC147707
0.6549 Remote Similarity NPC12270
0.6531 Remote Similarity NPC471595
0.6522 Remote Similarity NPC50694
0.6514 Remote Similarity NPC215988
0.6509 Remote Similarity NPC167380
0.6509 Remote Similarity NPC475438
0.65 Remote Similarity NPC475753
0.65 Remote Similarity NPC262026
0.6486 Remote Similarity NPC315531
0.6471 Remote Similarity NPC97577
0.6455 Remote Similarity NPC259476
0.6422 Remote Similarity NPC128501
0.6421 Remote Similarity NPC240170
0.6421 Remote Similarity NPC120776
0.6415 Remote Similarity NPC121857
0.6413 Remote Similarity NPC320119
0.641 Remote Similarity NPC475642
0.641 Remote Similarity NPC216335
0.641 Remote Similarity NPC201968
0.641 Remote Similarity NPC476190
0.64 Remote Similarity NPC15807
0.6392 Remote Similarity NPC472948
0.6387 Remote Similarity NPC477143
0.6387 Remote Similarity NPC477140
0.6383 Remote Similarity NPC199445
0.6383 Remote Similarity NPC255060
0.6383 Remote Similarity NPC474011
0.6379 Remote Similarity NPC471645
0.6373 Remote Similarity NPC201046
0.6364 Remote Similarity NPC69469
0.6364 Remote Similarity NPC280498
0.6364 Remote Similarity NPC16488
0.6354 Remote Similarity NPC121200
0.6354 Remote Similarity NPC469492
0.6346 Remote Similarity NPC36491
0.6344 Remote Similarity NPC275098
0.6337 Remote Similarity NPC316426
0.6337 Remote Similarity NPC164393
0.6337 Remote Similarity NPC315395
0.6333 Remote Similarity NPC315915
0.6327 Remote Similarity NPC14151
0.6316 Remote Similarity NPC239127
0.6316 Remote Similarity NPC469646
0.6316 Remote Similarity NPC92829
0.6316 Remote Similarity NPC477997
0.6316 Remote Similarity NPC469514
0.6303 Remote Similarity NPC241050
0.6292 Remote Similarity NPC474304
0.6292 Remote Similarity NPC474329
0.6289 Remote Similarity NPC82488
0.6289 Remote Similarity NPC469517
0.6289 Remote Similarity NPC308545
0.6286 Remote Similarity NPC478036
0.6286 Remote Similarity NPC478037
0.6283 Remote Similarity NPC207820
0.6262 Remote Similarity NPC135576
0.6262 Remote Similarity NPC93271
0.625 Remote Similarity NPC471061
0.625 Remote Similarity NPC469464
0.625 Remote Similarity NPC281296
0.625 Remote Similarity NPC276769
0.6239 Remote Similarity NPC316730
0.6238 Remote Similarity NPC475206
0.6237 Remote Similarity NPC126061
0.6224 Remote Similarity NPC470946
0.6224 Remote Similarity NPC470945
0.6224 Remote Similarity NPC470947
0.6224 Remote Similarity NPC103634
0.622 Remote Similarity NPC314361
0.6216 Remote Similarity NPC476877
0.6216 Remote Similarity NPC320294
0.6202 Remote Similarity NPC472430
0.62 Remote Similarity NPC11620
0.6198 Remote Similarity NPC156379
0.6198 Remote Similarity NPC475383
0.6196 Remote Similarity NPC469914
0.619 Remote Similarity NPC319473
0.619 Remote Similarity NPC472264
0.6186 Remote Similarity NPC478122
0.6176 Remote Similarity NPC477994
0.6176 Remote Similarity NPC116575
0.6176 Remote Similarity NPC122502
0.6176 Remote Similarity NPC477993
0.6168 Remote Similarity NPC314009
0.6168 Remote Similarity NPC54905
0.6162 Remote Similarity NPC67254
0.6162 Remote Similarity NPC116797
0.6162 Remote Similarity NPC47031
0.6154 Remote Similarity NPC278895
0.6154 Remote Similarity NPC122404
0.6148 Remote Similarity NPC478015
0.6148 Remote Similarity NPC478014
0.6148 Remote Similarity NPC478016
0.6146 Remote Similarity NPC279537
0.614 Remote Similarity NPC168733
0.6139 Remote Similarity NPC477199
0.6134 Remote Similarity NPC27413
0.6134 Remote Similarity NPC271621
0.6134 Remote Similarity NPC59751
0.6132 Remote Similarity NPC476049
0.6129 Remote Similarity NPC477455
0.6126 Remote Similarity NPC469598
0.6122 Remote Similarity NPC471597
0.6122 Remote Similarity NPC474113
0.6122 Remote Similarity NPC113363
0.6117 Remote Similarity NPC472614
0.6117 Remote Similarity NPC324506
0.6111 Remote Similarity NPC471471
0.6111 Remote Similarity NPC164476
0.6111 Remote Similarity NPC475503
0.6111 Remote Similarity NPC473291
0.6106 Remote Similarity NPC476876
0.6102 Remote Similarity NPC24462
0.61 Remote Similarity NPC7414
0.6095 Remote Similarity NPC316228
0.6091 Remote Similarity NPC469870
0.6091 Remote Similarity NPC233932
0.6091 Remote Similarity NPC469871
0.6087 Remote Similarity NPC24389
0.6083 Remote Similarity NPC296361
0.6082 Remote Similarity NPC145898
0.6082 Remote Similarity NPC86917
0.6078 Remote Similarity NPC32037
0.6078 Remote Similarity NPC79573
0.6078 Remote Similarity NPC261380
0.6078 Remote Similarity NPC137033
0.6075 Remote Similarity NPC473162
0.6075 Remote Similarity NPC114162
0.6075 Remote Similarity NPC473172
0.6075 Remote Similarity NPC469819
0.6071 Remote Similarity NPC318544
0.6071 Remote Similarity NPC471317
0.6068 Remote Similarity NPC261750
0.6068 Remote Similarity NPC314550
0.6068 Remote Similarity NPC1111
0.6068 Remote Similarity NPC60432
0.6066 Remote Similarity NPC314293
0.6066 Remote Similarity NPC469515
0.6061 Remote Similarity NPC306095
0.6061 Remote Similarity NPC157895
0.6061 Remote Similarity NPC148685
0.6061 Remote Similarity NPC104120
0.6058 Remote Similarity NPC474854
0.6058 Remote Similarity NPC476707
0.6058 Remote Similarity NPC476706
0.6058 Remote Similarity NPC476708
0.6055 Remote Similarity NPC475646
0.6055 Remote Similarity NPC273269

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314500 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
0.6893 Remote Similarity NPD7839 Suspended
0.6602 Remote Similarity NPD5779 Approved
0.6602 Remote Similarity NPD5778 Approved
0.6552 Remote Similarity NPD7500 Approved
0.6549 Remote Similarity NPD1719 Phase 1
0.6505 Remote Similarity NPD7983 Approved
0.6471 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6101 Approved
0.6408 Remote Similarity NPD790 Approved
0.6404 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6411 Approved
0.625 Remote Similarity NPD1018 Approved
0.6224 Remote Similarity NPD5368 Approved
0.6222 Remote Similarity NPD7331 Phase 2
0.6186 Remote Similarity NPD3732 Approved
0.6176 Remote Similarity NPD5786 Approved
0.6162 Remote Similarity NPD5369 Approved
0.6132 Remote Similarity NPD5781 Clinical (unspecified phase)
0.6106 Remote Similarity NPD7333 Discontinued
0.61 Remote Similarity NPD4269 Approved
0.61 Remote Similarity NPD6435 Approved
0.61 Remote Similarity NPD4270 Approved
0.6034 Remote Similarity NPD6421 Discontinued
0.6034 Remote Similarity NPD6420 Discontinued
0.6022 Remote Similarity NPD791 Approved
0.6022 Remote Similarity NPD15 Approved
0.6022 Remote Similarity NPD1082 Approved
0.5952 Remote Similarity NPD8074 Phase 3
0.595 Remote Similarity NPD7641 Discontinued
0.5934 Remote Similarity NPD7341 Phase 2
0.5926 Remote Similarity NPD5282 Discontinued
0.5922 Remote Similarity NPD5363 Approved
0.59 Remote Similarity NPD4252 Approved
0.59 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5887 Remote Similarity NPD7623 Phase 3
0.5887 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5865 Remote Similarity NPD6334 Approved
0.5865 Remote Similarity NPD6333 Approved
0.5865 Remote Similarity NPD5279 Phase 3
0.5859 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5854 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5824 Remote Similarity NPD277 Approved
0.5818 Remote Similarity NPD4228 Discovery
0.5816 Remote Similarity NPD1346 Approved
0.5806 Remote Similarity NPD8444 Approved
0.5806 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5806 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5784 Remote Similarity NPD3667 Approved
0.5748 Remote Similarity NPD8273 Phase 1
0.5741 Remote Similarity NPD7637 Suspended
0.5741 Remote Similarity NPD6079 Approved
0.5728 Remote Similarity NPD5362 Discontinued
0.5728 Remote Similarity NPD7154 Phase 3
0.5727 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7601 Clinical (unspecified phase)
0.5704 Remote Similarity NPD8173 Phase 2
0.5704 Remote Similarity NPD8172 Phase 2
0.5703 Remote Similarity NPD7747 Phase 1
0.5703 Remote Similarity NPD7746 Phase 1
0.5701 Remote Similarity NPD5328 Approved
0.5692 Remote Similarity NPD6914 Discontinued
0.569 Remote Similarity NPD999 Phase 2
0.5678 Remote Similarity NPD6413 Approved
0.5676 Remote Similarity NPD5221 Approved
0.5676 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5676 Remote Similarity NPD5222 Approved
0.5673 Remote Similarity NPD3133 Approved
0.5673 Remote Similarity NPD4786 Approved
0.5673 Remote Similarity NPD3666 Approved
0.5673 Remote Similarity NPD3665 Phase 1
0.5669 Remote Similarity NPD8340 Approved
0.5669 Remote Similarity NPD8342 Approved
0.5669 Remote Similarity NPD8299 Approved
0.5669 Remote Similarity NPD8341 Approved
0.5664 Remote Similarity NPD6404 Discontinued
0.5648 Remote Similarity NPD6698 Approved
0.5648 Remote Similarity NPD46 Approved
0.5648 Remote Similarity NPD5785 Approved
0.5639 Remote Similarity NPD8415 Approved
0.5631 Remote Similarity NPD7345 Approved
0.563 Remote Similarity NPD4634 Approved
0.563 Remote Similarity NPD7113 Clinical (unspecified phase)
0.5625 Remote Similarity NPD8451 Approved
0.5625 Remote Similarity NPD5173 Approved
0.5604 Remote Similarity NPD834 Approved
0.5604 Remote Similarity NPD835 Approved
0.56 Remote Similarity NPD2218 Phase 2
0.56 Remote Similarity NPD2217 Approved

Structure

External Identifiers

PubChem CID   73623
ChEMBL   CHEMBL2134303
ZINC  

Physicochemical Properties

Molecular Weight:  307.18
ALogP:  0.5444
MLogP:  2.78
XLogP:  1.88
# Rotatable Bonds:  12
Polar Surface Area:  86.96
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  22

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs