Natural Product: NPC34754

Natural Product ID:  NPC34754
Common Name:   Cespitulactam D
IUPAC Name:  
Synonyms:   Cespitulactam D
Molecular Formula:   C20H29NO2
Standard InCHIKey:  DZPGQVGXKGIMGH-CZIVKBJPSA-N
Standard InCHI:  InChI=1S/C20H29NO2/c1-12-5-6-14-7-8-16-18(20(14,3)4)17(21-19(16)23)11-13(2)10-15(22)9-12/h10,14-15,17,22H,1,5-9,11H2,2-4H3,(H,21,23)/b13-10+/t14-,15+,17-/m1/s1
Canonical SMILES:  C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@H](C/C(=C/[C@H](C1)O)/C)N=C3O
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
NPO2560 Cespitularia taeniata Species Xeniidae Eukaryota Taiwan PMID[18052327]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 4.16 ug/ml 10.6019/CHEMBL1201861

  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 NPC34754 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
0.8901 High Similarity NPC4834
0.8333 Intermediate Similarity NPC247060
0.8333 Intermediate Similarity NPC50815
0.8172 Intermediate Similarity NPC473314
0.7959 Intermediate Similarity NPC471083
0.7879 Intermediate Similarity NPC474563
0.7753 Intermediate Similarity NPC39966
0.7745 Intermediate Similarity NPC307903
0.7745 Intermediate Similarity NPC140251
0.77 Intermediate Similarity NPC474583
0.77 Intermediate Similarity NPC293299
0.77 Intermediate Similarity NPC45365
0.7604 Intermediate Similarity NPC280710
0.7604 Intermediate Similarity NPC243985
0.7556 Intermediate Similarity NPC224072
0.7551 Intermediate Similarity NPC240650
0.7549 Intermediate Similarity NPC55462
0.75 Intermediate Similarity NPC77703
0.7447 Intermediate Similarity NPC316186
0.7447 Intermediate Similarity NPC324405
0.7429 Intermediate Similarity NPC122926
0.7429 Intermediate Similarity NPC113012
0.7429 Intermediate Similarity NPC476290
0.7353 Intermediate Similarity NPC90538
0.7349 Intermediate Similarity NPC114651
0.7308 Intermediate Similarity NPC25340
0.7308 Intermediate Similarity NPC169375
0.7308 Intermediate Similarity NPC475800
0.7294 Intermediate Similarity NPC34834
0.729 Intermediate Similarity NPC476269
0.7264 Intermediate Similarity NPC472359
0.7234 Intermediate Similarity NPC166458
0.72 Intermediate Similarity NPC140300
0.7176 Intermediate Similarity NPC471560
0.717 Intermediate Similarity NPC474725
0.713 Intermediate Similarity NPC56796
0.7103 Intermediate Similarity NPC328052
0.7033 Intermediate Similarity NPC47982
0.7033 Intermediate Similarity NPC109546
0.7033 Intermediate Similarity NPC84694
0.7033 Intermediate Similarity NPC143182
0.7033 Intermediate Similarity NPC81306
0.7033 Intermediate Similarity NPC28862
0.7027 Intermediate Similarity NPC476190
0.7024 Intermediate Similarity NPC202017
0.7 Intermediate Similarity NPC91594
0.6977 Remote Similarity NPC474248
0.6957 Remote Similarity NPC234193
0.6947 Remote Similarity NPC75810
0.6923 Remote Similarity NPC167891
0.6923 Remote Similarity NPC474216
0.6923 Remote Similarity NPC469598
0.6923 Remote Similarity NPC83351
0.6893 Remote Similarity NPC275686
0.6889 Remote Similarity NPC247325
0.6889 Remote Similarity NPC265588
0.6889 Remote Similarity NPC244488
0.6882 Remote Similarity NPC23852
0.6882 Remote Similarity NPC209620
0.6882 Remote Similarity NPC264245
0.6882 Remote Similarity NPC475724
0.6863 Remote Similarity NPC474164
0.686 Remote Similarity NPC208999
0.686 Remote Similarity NPC96484
0.6848 Remote Similarity NPC209430
0.6848 Remote Similarity NPC30986
0.6832 Remote Similarity NPC311164
0.6832 Remote Similarity NPC272732
0.6818 Remote Similarity NPC477792
0.6818 Remote Similarity NPC80834
0.6818 Remote Similarity NPC469968
0.6809 Remote Similarity NPC101462
0.6809 Remote Similarity NPC50964
0.6809 Remote Similarity NPC49964
0.6809 Remote Similarity NPC189972
0.68 Remote Similarity NPC93027
0.6796 Remote Similarity NPC91604
0.6786 Remote Similarity NPC107540
0.6786 Remote Similarity NPC290367
0.6782 Remote Similarity NPC473893
0.6774 Remote Similarity NPC209944
0.6774 Remote Similarity NPC241290
0.6774 Remote Similarity NPC164840
0.6768 Remote Similarity NPC84171
0.6765 Remote Similarity NPC476903
0.6762 Remote Similarity NPC176012
0.6744 Remote Similarity NPC68703
0.6744 Remote Similarity NPC69649
0.6744 Remote Similarity NPC171225
0.6742 Remote Similarity NPC474140
0.6742 Remote Similarity NPC265485
0.6742 Remote Similarity NPC471799
0.6742 Remote Similarity NPC130665
0.6742 Remote Similarity NPC220939
0.6739 Remote Similarity NPC476314
0.6739 Remote Similarity NPC473943
0.6737 Remote Similarity NPC475789
0.6737 Remote Similarity NPC470384
0.6737 Remote Similarity NPC474634
0.6737 Remote Similarity NPC317458
0.6705 Remote Similarity NPC92801
0.6703 Remote Similarity NPC321016
0.6703 Remote Similarity NPC321381
0.6703 Remote Similarity NPC96319
0.6703 Remote Similarity NPC253190
0.6703 Remote Similarity NPC107059
0.6702 Remote Similarity NPC474752
0.6702 Remote Similarity NPC476646
0.6702 Remote Similarity NPC474731
0.6702 Remote Similarity NPC47761
0.6702 Remote Similarity NPC474759
0.6702 Remote Similarity NPC82986
0.6702 Remote Similarity NPC474683
0.6702 Remote Similarity NPC7505
0.6667 Remote Similarity NPC238485
0.6667 Remote Similarity NPC205845
0.6667 Remote Similarity NPC306727
0.6667 Remote Similarity NPC477199
0.6667 Remote Similarity NPC476366
0.6667 Remote Similarity NPC471797
0.6667 Remote Similarity NPC471238
0.6667 Remote Similarity NPC185568
0.6667 Remote Similarity NPC201048
0.6638 Remote Similarity NPC242692
0.6636 Remote Similarity NPC119329
0.6633 Remote Similarity NPC312561
0.6632 Remote Similarity NPC202389
0.6632 Remote Similarity NPC87489
0.663 Remote Similarity NPC470758
0.663 Remote Similarity NPC477425
0.663 Remote Similarity NPC155986
0.663 Remote Similarity NPC198968
0.663 Remote Similarity NPC477426
0.663 Remote Similarity NPC470711
0.663 Remote Similarity NPC318495
0.663 Remote Similarity NPC477427
0.663 Remote Similarity NPC474826
0.6629 Remote Similarity NPC242001
0.6629 Remote Similarity NPC23954
0.6628 Remote Similarity NPC326310
0.6628 Remote Similarity NPC267027
0.6627 Remote Similarity NPC66020
0.6598 Remote Similarity NPC274448
0.6598 Remote Similarity NPC179006
0.6598 Remote Similarity NPC474853
0.6598 Remote Similarity NPC266511
0.6596 Remote Similarity NPC295131
0.6596 Remote Similarity NPC96362
0.6593 Remote Similarity NPC136188
0.6593 Remote Similarity NPC69383
0.6593 Remote Similarity NPC313185
0.6593 Remote Similarity NPC230301
0.6593 Remote Similarity NPC28657
0.6593 Remote Similarity NPC32832
0.6593 Remote Similarity NPC285893
0.6593 Remote Similarity NPC22105
0.6593 Remote Similarity NPC304309
0.6593 Remote Similarity NPC134847
0.6593 Remote Similarity NPC288035
0.6593 Remote Similarity NPC171148
0.6593 Remote Similarity NPC162742
0.6593 Remote Similarity NPC313179
0.6591 Remote Similarity NPC103712
0.6591 Remote Similarity NPC291196
0.6588 Remote Similarity NPC96793
0.6588 Remote Similarity NPC323424
0.6588 Remote Similarity NPC309300
0.6583 Remote Similarity NPC472414
0.6581 Remote Similarity NPC472458
0.6581 Remote Similarity NPC469943
0.6574 Remote Similarity NPC258130
0.6571 Remote Similarity NPC135799
0.6562 Remote Similarity NPC472377
0.6559 Remote Similarity NPC275910
0.6559 Remote Similarity NPC11908
0.6559 Remote Similarity NPC475994
0.6559 Remote Similarity NPC87604
0.6559 Remote Similarity NPC477514
0.6559 Remote Similarity NPC477522
0.6556 Remote Similarity NPC474743
0.6555 Remote Similarity NPC472415
0.6552 Remote Similarity NPC477791
0.6548 Remote Similarity NPC29468
0.6538 Remote Similarity NPC167419
0.6531 Remote Similarity NPC293287
0.6531 Remote Similarity NPC6391
0.6531 Remote Similarity NPC152808
0.6531 Remote Similarity NPC261266
0.6522 Remote Similarity NPC240604
0.6522 Remote Similarity NPC470749
0.6522 Remote Similarity NPC300324
0.6522 Remote Similarity NPC113733
0.6517 Remote Similarity NPC145498
0.6514 Remote Similarity NPC46981
0.6512 Remote Similarity NPC19569
0.6509 Remote Similarity NPC118275
0.6506 Remote Similarity NPC122239
0.6495 Remote Similarity NPC231310
0.6495 Remote Similarity NPC83702
0.6495 Remote Similarity NPC474047

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC34754 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
0.7071 Intermediate Similarity NPD5771 Approved
0.6789 Remote Similarity NPD6420 Discontinued
0.6703 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6593 Remote Similarity NPD7339 Approved
0.6593 Remote Similarity NPD6942 Approved
0.6593 Remote Similarity NPD8264 Approved
0.6522 Remote Similarity NPD1346 Approved
0.6475 Remote Similarity NPD6914 Discontinued
0.6465 Remote Similarity NPD4751 Clinical (unspecified phase)
0.64 Remote Similarity NPD4722 Approved
0.64 Remote Similarity NPD4723 Approved
0.6353 Remote Similarity NPD368 Approved
0.6316 Remote Similarity NPD6929 Approved
0.6304 Remote Similarity NPD6926 Approved
0.6304 Remote Similarity NPD6924 Approved
0.6289 Remote Similarity NPD3667 Approved
0.6273 Remote Similarity NPD6640 Phase 3
0.6262 Remote Similarity NPD6404 Discontinued
0.625 Remote Similarity NPD6931 Approved
0.625 Remote Similarity NPD6930 Phase 2
0.6222 Remote Similarity NPD791 Approved
0.6222 Remote Similarity NPD15 Approved
0.622 Remote Similarity NPD342 Phase 1
0.6211 Remote Similarity NPD7322 Clinical (unspecified phase)
0.617 Remote Similarity NPD6933 Approved
0.6162 Remote Similarity NPD4786 Approved
0.6146 Remote Similarity NPD7645 Phase 2
0.6117 Remote Similarity NPD4001 Clinical (unspecified phase)
0.6105 Remote Similarity NPD6925 Approved
0.6105 Remote Similarity NPD5776 Phase 2
0.6095 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6082 Remote Similarity NPD7525 Registered
0.6082 Remote Similarity NPD7514 Phase 3
0.6082 Remote Similarity NPD7332 Phase 2
0.6061 Remote Similarity NPD6695 Phase 3
0.6044 Remote Similarity NPD1082 Approved
0.6044 Remote Similarity NPD6923 Approved
0.6044 Remote Similarity NPD6922 Approved
0.6042 Remote Similarity NPD7145 Approved
0.602 Remote Similarity NPD6902 Approved
0.6 Remote Similarity NPD3665 Phase 1
0.6 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6 Remote Similarity NPD3666 Approved
0.6 Remote Similarity NPD5781 Clinical (unspecified phase)
0.6 Remote Similarity NPD3133 Approved
0.5978 Remote Similarity NPD7143 Approved
0.5978 Remote Similarity NPD7144 Approved
0.5957 Remote Similarity NPD4785 Approved
0.5957 Remote Similarity NPD4784 Approved
0.5941 Remote Similarity NPD6893 Approved
0.5918 Remote Similarity NPD4748 Discontinued
0.5918 Remote Similarity NPD7509 Discontinued
0.5914 Remote Similarity NPD7150 Approved
0.5914 Remote Similarity NPD7151 Approved
0.5914 Remote Similarity NPD4243 Approved
0.5914 Remote Similarity NPD7152 Approved
0.5882 Remote Similarity NPD7505 Discontinued
0.5882 Remote Similarity NPD3618 Phase 1
0.5862 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5859 Remote Similarity NPD6898 Phase 1
0.5841 Remote Similarity NPD7333 Discontinued
0.5841 Remote Similarity NPD5357 Phase 1
0.5841 Remote Similarity NPD4211 Phase 1
0.5833 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5825 Remote Similarity NPD7524 Approved
0.5825 Remote Similarity NPD7750 Discontinued
0.582 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5794 Remote Similarity NPD5707 Approved
0.5784 Remote Similarity NPD1696 Phase 3
0.5776 Remote Similarity NPD6421 Discontinued
0.5773 Remote Similarity NPD6932 Approved
0.5772 Remote Similarity NPD7623 Phase 3
0.5772 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5765 Remote Similarity NPD4219 Approved
0.5739 Remote Similarity NPD6406 Approved
0.5729 Remote Similarity NPD4190 Phase 3
0.5729 Remote Similarity NPD5275 Approved
0.5728 Remote Similarity NPD4623 Approved
0.5728 Remote Similarity NPD5279 Phase 3
0.5728 Remote Similarity NPD4519 Discontinued
0.5714 Remote Similarity NPD5328 Approved
0.569 Remote Similarity NPD6413 Approved
0.5686 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5686 Remote Similarity NPD3668 Phase 3
0.5657 Remote Similarity NPD6683 Phase 2
0.5657 Remote Similarity NPD4195 Approved
0.5656 Remote Similarity NPD7522 Discontinued
0.5638 Remote Similarity NPD6939 Phase 2
0.5638 Remote Similarity NPD6938 Clinical (unspecified phase)
0.5625 Remote Similarity NPD4159 Approved
0.5607 Remote Similarity NPD6079 Approved
0.5607 Remote Similarity NPD7087 Discontinued

Structure

External Identifiers

PubChem CID   24762910
ChEMBL   CHEMBL251660
ZINC  

Physicochemical Properties

Molecular Weight:  315.22
ALogP:  2.1168
MLogP:  3.33
XLogP:  2.919
# Rotatable Bonds:  5
Polar Surface Area:  52.82
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  23

Download Data

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