Natural Product: NPC191643

Natural Product ID:  NPC191643
Common Name:   Nocapyrone F
IUPAC Name:   3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one
Synonyms:   nocapyrone F
Molecular Formula:   C11H14O2
Standard InCHIKey:  PBQULXLDQBOQEV-VMPITWQZSA-N
Standard InCHI:  InChI=1S/C11H14O2/c1-4-5-8(2)10-7-6-9(3)11(12)13-10/h5-7H,4H2,1-3H3/b8-5+
Canonical SMILES:  CC/C=C(/c1ccc(c(=O)o1)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
NPO14429 Nocardiopsis dassonvillei Species Nocardiopsaceae Bacteria spore PMID[21958359]
NPO14429 Nocardiopsis dassonvillei Species Nocardiopsaceae Bacteria isolated from marine sediments The estuary of Yellow River, Dongying, Shandong Province, China PMID[21958359]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 >= 100000 nM 21958359
NPT81 Cell Line A549 Homo sapiens IC5 >= 0.1 nM 21958359
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 14000 nM 21958359

  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 NPC191643 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
0.9412 High Similarity NPC173157
0.9375 High Similarity NPC234084
0.9231 High Similarity NPC150717
0.9216 High Similarity NPC218486
0.8868 High Similarity NPC221763
0.8276 Intermediate Similarity NPC2328
0.8235 Intermediate Similarity NPC126184
0.8214 Intermediate Similarity NPC189700
0.8182 Intermediate Similarity NPC86948
0.807 Intermediate Similarity NPC133600
0.7931 Intermediate Similarity NPC130953
0.7931 Intermediate Similarity NPC309408
0.7736 Intermediate Similarity NPC15789
0.7736 Intermediate Similarity NPC236338
0.7705 Intermediate Similarity NPC471566
0.7705 Intermediate Similarity NPC471556
0.7705 Intermediate Similarity NPC471565
0.7692 Intermediate Similarity NPC128520
0.7679 Intermediate Similarity NPC25038
0.7627 Intermediate Similarity NPC429928
0.7627 Intermediate Similarity NPC98519
0.7581 Intermediate Similarity NPC315115
0.7544 Intermediate Similarity NPC51846
0.75 Intermediate Similarity NPC15193
0.7419 Intermediate Similarity NPC476589
0.7407 Intermediate Similarity NPC275316
0.7407 Intermediate Similarity NPC221467
0.7377 Intermediate Similarity NPC132243
0.7368 Intermediate Similarity NPC478117
0.7358 Intermediate Similarity NPC90490
0.7344 Intermediate Similarity NPC477117
0.7344 Intermediate Similarity NPC313444
0.7308 Intermediate Similarity NPC270706
0.7222 Intermediate Similarity NPC82446
0.7193 Intermediate Similarity NPC478120
0.717 Intermediate Similarity NPC128280
0.7121 Intermediate Similarity NPC315285
0.7121 Intermediate Similarity NPC316029
0.7121 Intermediate Similarity NPC59558
0.7121 Intermediate Similarity NPC315597
0.7097 Intermediate Similarity NPC210303
0.7097 Intermediate Similarity NPC473737
0.7097 Intermediate Similarity NPC44343
0.7097 Intermediate Similarity NPC179087
0.7077 Intermediate Similarity NPC287705
0.7049 Intermediate Similarity NPC79756
0.7031 Intermediate Similarity NPC470033
0.6981 Remote Similarity NPC47946
0.6981 Remote Similarity NPC26600
0.6964 Remote Similarity NPC43053
0.6923 Remote Similarity NPC470442
0.6923 Remote Similarity NPC132286
0.6909 Remote Similarity NPC135698
0.6875 Remote Similarity NPC220766
0.6875 Remote Similarity NPC273600
0.6875 Remote Similarity NPC182794
0.6857 Remote Similarity NPC470705
0.6852 Remote Similarity NPC197467
0.6833 Remote Similarity NPC293437
0.6833 Remote Similarity NPC135863
0.6833 Remote Similarity NPC249850
0.6833 Remote Similarity NPC474825
0.6818 Remote Similarity NPC238223
0.6818 Remote Similarity NPC280374
0.6786 Remote Similarity NPC27264
0.6769 Remote Similarity NPC475555
0.6769 Remote Similarity NPC191233
0.6769 Remote Similarity NPC475675
0.6765 Remote Similarity NPC181587
0.6765 Remote Similarity NPC133098
0.6731 Remote Similarity NPC57923
0.6721 Remote Similarity NPC21946
0.6721 Remote Similarity NPC254095
0.6719 Remote Similarity NPC475618
0.6719 Remote Similarity NPC471611
0.6716 Remote Similarity NPC470693
0.6667 Remote Similarity NPC148056
0.6667 Remote Similarity NPC111474
0.6667 Remote Similarity NPC151648
0.6667 Remote Similarity NPC270412
0.6667 Remote Similarity NPC225272
0.6667 Remote Similarity NPC14437
0.6615 Remote Similarity NPC133904
0.6615 Remote Similarity NPC131174
0.6613 Remote Similarity NPC82465
0.6613 Remote Similarity NPC286189
0.6613 Remote Similarity NPC302564
0.6613 Remote Similarity NPC22897
0.6613 Remote Similarity NPC159650
0.661 Remote Similarity NPC151761
0.661 Remote Similarity NPC159535
0.6607 Remote Similarity NPC15912
0.6567 Remote Similarity NPC79220
0.6562 Remote Similarity NPC475073
0.6562 Remote Similarity NPC155849
0.6557 Remote Similarity NPC129150
0.6557 Remote Similarity NPC294938
0.6552 Remote Similarity NPC151919
0.6528 Remote Similarity NPC315394
0.6528 Remote Similarity NPC316324
0.6522 Remote Similarity NPC178575
0.6515 Remote Similarity NPC469446
0.6508 Remote Similarity NPC26223
0.6491 Remote Similarity NPC220191
0.6481 Remote Similarity NPC304079
0.6481 Remote Similarity NPC6963
0.6479 Remote Similarity NPC478195
0.6479 Remote Similarity NPC478196
0.6479 Remote Similarity NPC478194
0.6479 Remote Similarity NPC478192
0.6479 Remote Similarity NPC478191
0.6479 Remote Similarity NPC478193
0.6471 Remote Similarity NPC200147
0.6471 Remote Similarity NPC232812
0.6471 Remote Similarity NPC473277
0.6462 Remote Similarity NPC173409
0.6462 Remote Similarity NPC53136
0.6452 Remote Similarity NPC223679
0.6418 Remote Similarity NPC203335
0.6418 Remote Similarity NPC21998
0.6406 Remote Similarity NPC68044
0.6406 Remote Similarity NPC217537
0.6393 Remote Similarity NPC245002
0.6379 Remote Similarity NPC22329
0.6377 Remote Similarity NPC64234
0.6377 Remote Similarity NPC202011
0.6377 Remote Similarity NPC37929
0.6364 Remote Similarity NPC470688
0.6364 Remote Similarity NPC7940
0.6351 Remote Similarity NPC271632
0.6349 Remote Similarity NPC203233
0.6346 Remote Similarity NPC8270
0.6346 Remote Similarity NPC281043
0.6346 Remote Similarity NPC297608
0.6333 Remote Similarity NPC129710
0.6333 Remote Similarity NPC474127
0.6327 Remote Similarity NPC269641
0.6324 Remote Similarity NPC474823
0.6324 Remote Similarity NPC470032
0.6308 Remote Similarity NPC68110
0.6308 Remote Similarity NPC474658
0.6301 Remote Similarity NPC54996
0.6301 Remote Similarity NPC473825
0.6301 Remote Similarity NPC68156
0.629 Remote Similarity NPC283502
0.6271 Remote Similarity NPC106531
0.6269 Remote Similarity NPC37382
0.6269 Remote Similarity NPC248125
0.625 Remote Similarity NPC210258
0.625 Remote Similarity NPC87137
0.625 Remote Similarity NPC308331
0.625 Remote Similarity NPC147621
0.625 Remote Similarity NPC329826
0.625 Remote Similarity NPC469414
0.625 Remote Similarity NPC206507
0.6232 Remote Similarity NPC151481
0.6232 Remote Similarity NPC475004
0.623 Remote Similarity NPC474913
0.6226 Remote Similarity NPC221250
0.6226 Remote Similarity NPC159773
0.6212 Remote Similarity NPC25747
0.6212 Remote Similarity NPC148233
0.6212 Remote Similarity NPC308457
0.6212 Remote Similarity NPC477457
0.6212 Remote Similarity NPC477456
0.62 Remote Similarity NPC9290
0.6197 Remote Similarity NPC276336
0.6197 Remote Similarity NPC287878
0.6197 Remote Similarity NPC316851
0.619 Remote Similarity NPC474084
0.6182 Remote Similarity NPC12907
0.6182 Remote Similarity NPC477686
0.6167 Remote Similarity NPC327103
0.6167 Remote Similarity NPC474805
0.6129 Remote Similarity NPC230296
0.6122 Remote Similarity NPC12889
0.6119 Remote Similarity NPC112312
0.6119 Remote Similarity NPC96414
0.6111 Remote Similarity NPC470686
0.6111 Remote Similarity NPC187922
0.6094 Remote Similarity NPC97570
0.6087 Remote Similarity NPC470256
0.6087 Remote Similarity NPC218477
0.6081 Remote Similarity NPC471225
0.6071 Remote Similarity NPC191337
0.6071 Remote Similarity NPC166788
0.6066 Remote Similarity NPC269615
0.6066 Remote Similarity NPC135537
0.6061 Remote Similarity NPC217940
0.6061 Remote Similarity NPC474723
0.6061 Remote Similarity NPC474729
0.6056 Remote Similarity NPC316185
0.6038 Remote Similarity NPC123357
0.6038 Remote Similarity NPC250954
0.6029 Remote Similarity NPC201356
0.6029 Remote Similarity NPC146811
0.6029 Remote Similarity NPC124586
0.6027 Remote Similarity NPC315552
0.6 Remote Similarity NPC19241
0.6 Remote Similarity NPC476585

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC191643 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 NPD9418 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6927 Phase 3
0.6607 Remote Similarity NPD4220 Pre-registration
0.6078 Remote Similarity NPD9115 Approved
0.6 Remote Similarity NPD9411 Phase 1
0.597 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5882 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5867 Remote Similarity NPD4756 Discovery
0.5818 Remote Similarity NPD9297 Discontinued
0.5818 Remote Similarity NPD9091 Suspended
0.5672 Remote Similarity NPD4194 Approved
0.5672 Remote Similarity NPD4191 Approved
0.5672 Remote Similarity NPD4192 Approved
0.5672 Remote Similarity NPD4193 Approved
0.5614 Remote Similarity NPD6096 Approved
0.5614 Remote Similarity NPD6097 Approved

Structure

External Identifiers

PubChem CID   53345950
ChEMBL   CHEMBL1835444
ZINC  

Physicochemical Properties

Molecular Weight:  178.10
ALogP:  1.5216
MLogP:  2.45
XLogP:  2.296
# Rotatable Bonds:  5
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  13

Download Data

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