Natural Product: NPC477452

Natural Product ID:  NPC477452
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C19H32O3
Standard InCHIKey:  VKVUCMHRWKRAJJ-KRWDZBQOSA-N
Standard InCHI:  InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-16-13-17(21)14-18(22)19(16)15(2)20/h17,21H,3-14H2,1-2H3/t17-/m0/s1
Canonical SMILES:  CCCCCCCCCCCC1=C(C(=O)C)C(=O)C[C@H](C1)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
NPO11898 Lobophora variegata Species Dictyotaceae Eukaryota at depths of 6–30 m at El Médano (Tenerife, Canary Islands) PMID[26126835]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1204 Organism Enterococcus faecalis ATCC 29212 Enterococcus faecalis ATCC 29212 Inhibition = 23 % 26126835
NPT19 Organism Escherichia coli Escherichia coli Inhibition = 29 % 26126835
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Inhibition = 100 % 26126835

  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 NPC477452 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
0.7973 Intermediate Similarity NPC477708
0.7794 Intermediate Similarity NPC477707
0.7778 Intermediate Similarity NPC477455
0.7778 Intermediate Similarity NPC173321
0.7571 Intermediate Similarity NPC61473
0.7532 Intermediate Similarity NPC178852
0.7429 Intermediate Similarity NPC7029
0.7333 Intermediate Similarity NPC49737
0.7333 Intermediate Similarity NPC261316
0.7286 Intermediate Similarity NPC53109
0.7286 Intermediate Similarity NPC143168
0.7286 Intermediate Similarity NPC477830
0.726 Intermediate Similarity NPC125578
0.726 Intermediate Similarity NPC263382
0.726 Intermediate Similarity NPC146376
0.7179 Intermediate Similarity NPC473536
0.7179 Intermediate Similarity NPC471061
0.7162 Intermediate Similarity NPC10758
0.7162 Intermediate Similarity NPC94488
0.7162 Intermediate Similarity NPC469914
0.7162 Intermediate Similarity NPC250928
0.7125 Intermediate Similarity NPC47653
0.7123 Intermediate Similarity NPC243272
0.7123 Intermediate Similarity NPC96962
0.7108 Intermediate Similarity NPC68303
0.7108 Intermediate Similarity NPC307126
0.7093 Intermediate Similarity NPC469464
0.7083 Intermediate Similarity NPC474329
0.7083 Intermediate Similarity NPC474304
0.7073 Intermediate Similarity NPC66764
0.7073 Intermediate Similarity NPC110150
0.7073 Intermediate Similarity NPC185256
0.7067 Intermediate Similarity NPC94743
0.7067 Intermediate Similarity NPC291062
0.7024 Intermediate Similarity NPC183736
0.7013 Intermediate Similarity NPC476649
0.7 Intermediate Similarity NPC243532
0.6988 Remote Similarity NPC40687
0.6986 Remote Similarity NPC472072
0.6974 Remote Similarity NPC320119
0.6951 Remote Similarity NPC47450
0.6941 Remote Similarity NPC298904
0.6933 Remote Similarity NPC262673
0.6923 Remote Similarity NPC474011
0.6912 Remote Similarity NPC40148
0.6905 Remote Similarity NPC15807
0.6905 Remote Similarity NPC197823
0.6901 Remote Similarity NPC201939
0.6883 Remote Similarity NPC144419
0.6875 Remote Similarity NPC475994
0.6875 Remote Similarity NPC231739
0.6875 Remote Similarity NPC478122
0.6867 Remote Similarity NPC477786
0.6867 Remote Similarity NPC278648
0.6867 Remote Similarity NPC477784
0.6867 Remote Similarity NPC476082
0.6867 Remote Similarity NPC477785
0.6867 Remote Similarity NPC64600
0.686 Remote Similarity NPC143025
0.686 Remote Similarity NPC131470
0.686 Remote Similarity NPC53911
0.686 Remote Similarity NPC143767
0.686 Remote Similarity NPC475001
0.686 Remote Similarity NPC185059
0.6849 Remote Similarity NPC98897
0.6835 Remote Similarity NPC242722
0.6835 Remote Similarity NPC239758
0.6835 Remote Similarity NPC469646
0.6829 Remote Similarity NPC136150
0.6829 Remote Similarity NPC14151
0.6818 Remote Similarity NPC73457
0.6795 Remote Similarity NPC227396
0.6795 Remote Similarity NPC264178
0.679 Remote Similarity NPC246458
0.679 Remote Similarity NPC281138
0.6782 Remote Similarity NPC472973
0.6782 Remote Similarity NPC86319
0.6782 Remote Similarity NPC275740
0.6782 Remote Similarity NPC69627
0.6757 Remote Similarity NPC16119
0.6757 Remote Similarity NPC137163
0.675 Remote Similarity NPC197659
0.675 Remote Similarity NPC276769
0.6744 Remote Similarity NPC471738
0.6742 Remote Similarity NPC477435
0.6742 Remote Similarity NPC477436
0.6714 Remote Similarity NPC320421
0.6712 Remote Similarity NPC34622
0.6712 Remote Similarity NPC474400
0.6709 Remote Similarity NPC114236
0.6709 Remote Similarity NPC472256
0.6707 Remote Similarity NPC2482
0.6707 Remote Similarity NPC472948
0.6707 Remote Similarity NPC74086
0.6706 Remote Similarity NPC470574
0.6706 Remote Similarity NPC474853
0.6706 Remote Similarity NPC179006
0.6706 Remote Similarity NPC36350
0.6706 Remote Similarity NPC187529
0.6706 Remote Similarity NPC202868
0.6706 Remote Similarity NPC79573
0.6705 Remote Similarity NPC183283
0.6705 Remote Similarity NPC477684
0.6667 Remote Similarity NPC471724
0.6667 Remote Similarity NPC138056
0.6667 Remote Similarity NPC275098
0.6667 Remote Similarity NPC166906
0.6667 Remote Similarity NPC251475
0.6667 Remote Similarity NPC158778
0.6667 Remote Similarity NPC328539
0.6667 Remote Similarity NPC474619
0.6667 Remote Similarity NPC472977
0.6667 Remote Similarity NPC474854
0.6667 Remote Similarity NPC473213
0.6667 Remote Similarity NPC472976
0.6667 Remote Similarity NPC105173
0.6667 Remote Similarity NPC62214
0.6667 Remote Similarity NPC254449
0.6667 Remote Similarity NPC169941
0.6667 Remote Similarity NPC326024
0.6667 Remote Similarity NPC269677
0.6667 Remote Similarity NPC473212
0.6667 Remote Similarity NPC471722
0.6667 Remote Similarity NPC230387
0.6667 Remote Similarity NPC115752
0.6667 Remote Similarity NPC207772
0.6667 Remote Similarity NPC15130
0.6667 Remote Similarity NPC472008
0.6667 Remote Similarity NPC474925
0.663 Remote Similarity NPC473574
0.663 Remote Similarity NPC20078
0.6629 Remote Similarity NPC472978
0.6629 Remote Similarity NPC63748
0.6629 Remote Similarity NPC146852
0.6629 Remote Similarity NPC248913
0.6629 Remote Similarity NPC472975
0.6629 Remote Similarity NPC99380
0.6628 Remote Similarity NPC474733
0.6628 Remote Similarity NPC232156
0.6628 Remote Similarity NPC72133
0.6628 Remote Similarity NPC222613
0.6628 Remote Similarity NPC145879
0.6628 Remote Similarity NPC471737
0.6628 Remote Similarity NPC229717
0.6628 Remote Similarity NPC474778
0.6628 Remote Similarity NPC474732
0.6628 Remote Similarity NPC31564
0.6628 Remote Similarity NPC475022
0.6628 Remote Similarity NPC158393
0.6628 Remote Similarity NPC118648
0.6627 Remote Similarity NPC119229
0.6627 Remote Similarity NPC67254
0.6627 Remote Similarity NPC189237
0.6627 Remote Similarity NPC116797
0.6627 Remote Similarity NPC44963
0.6627 Remote Similarity NPC472684
0.6625 Remote Similarity NPC470525
0.6623 Remote Similarity NPC42526
0.662 Remote Similarity NPC106851
0.662 Remote Similarity NPC274927
0.6618 Remote Similarity NPC87394
0.6593 Remote Similarity NPC470016
0.6593 Remote Similarity NPC200702
0.6593 Remote Similarity NPC477438
0.6593 Remote Similarity NPC477437
0.6593 Remote Similarity NPC317586
0.6593 Remote Similarity NPC473170
0.6591 Remote Similarity NPC97577
0.6591 Remote Similarity NPC250592
0.6591 Remote Similarity NPC256902
0.6591 Remote Similarity NPC186688
0.6591 Remote Similarity NPC118193
0.6591 Remote Similarity NPC77263
0.6585 Remote Similarity NPC622
0.6585 Remote Similarity NPC229204
0.6585 Remote Similarity NPC276647
0.6585 Remote Similarity NPC471740
0.6585 Remote Similarity NPC308038
0.6582 Remote Similarity NPC470299
0.6582 Remote Similarity NPC215050
0.6579 Remote Similarity NPC45264
0.6575 Remote Similarity NPC151728
0.6575 Remote Similarity NPC57463
0.6575 Remote Similarity NPC473210
0.6575 Remote Similarity NPC473211
0.6571 Remote Similarity NPC192843
0.6571 Remote Similarity NPC268185
0.6562 Remote Similarity NPC213366
0.6559 Remote Similarity NPC35717
0.6559 Remote Similarity NPC306908
0.6556 Remote Similarity NPC69454
0.6556 Remote Similarity NPC61275
0.6552 Remote Similarity NPC475740
0.6552 Remote Similarity NPC272039
0.6552 Remote Similarity NPC197333
0.6552 Remote Similarity NPC220930
0.6552 Remote Similarity NPC472324
0.6552 Remote Similarity NPC58063
0.6548 Remote Similarity NPC48362
0.6548 Remote Similarity NPC93590

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477452 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
0.7714 Intermediate Similarity NPD3704 Approved
0.7571 Intermediate Similarity NPD7341 Phase 2
0.7465 Intermediate Similarity NPD7331 Phase 2
0.7286 Intermediate Similarity NPD2664 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4627 Clinical (unspecified phase)
0.6782 Remote Similarity NPD5328 Approved
0.6757 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6707 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6079 Approved
0.6591 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6101 Approved
0.6486 Remote Similarity NPD3197 Phase 1
0.6444 Remote Similarity NPD6411 Approved
0.6437 Remote Similarity NPD3618 Phase 1
0.6395 Remote Similarity NPD4786 Approved
0.6374 Remote Similarity NPD5778 Approved
0.6374 Remote Similarity NPD5779 Approved
0.6353 Remote Similarity NPD3667 Approved
0.6353 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6341 Remote Similarity NPD4756 Discovery
0.6322 Remote Similarity NPD5363 Approved
0.6264 Remote Similarity NPD7515 Phase 2
0.625 Remote Similarity NPD5786 Approved
0.6235 Remote Similarity NPD5369 Approved
0.6207 Remote Similarity NPD3133 Approved
0.6207 Remote Similarity NPD3665 Phase 1
0.6207 Remote Similarity NPD3666 Approved
0.617 Remote Similarity NPD5220 Clinical (unspecified phase)
0.617 Remote Similarity NPD4697 Phase 3
0.617 Remote Similarity NPD5221 Approved
0.617 Remote Similarity NPD5222 Approved
0.6163 Remote Similarity NPD4269 Approved
0.6163 Remote Similarity NPD4270 Approved
0.6143 Remote Similarity NPD3196 Approved
0.6143 Remote Similarity NPD4266 Approved
0.6143 Remote Similarity NPD3195 Phase 2
0.6143 Remote Similarity NPD3194 Approved
0.6136 Remote Similarity NPD1696 Phase 3
0.6118 Remote Similarity NPD4252 Approved
0.6118 Remote Similarity NPD5368 Approved
0.6105 Remote Similarity NPD4755 Approved
0.6105 Remote Similarity NPD5173 Approved
0.6067 Remote Similarity NPD5279 Phase 3
0.6026 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6022 Remote Similarity NPD4202 Approved
0.6 Remote Similarity NPD3172 Approved
0.5979 Remote Similarity NPD4700 Approved
0.5979 Remote Similarity NPD4696 Approved
0.5979 Remote Similarity NPD5286 Approved
0.5979 Remote Similarity NPD5285 Approved
0.5978 Remote Similarity NPD5785 Approved
0.5977 Remote Similarity NPD6435 Approved
0.5957 Remote Similarity NPD7748 Approved
0.593 Remote Similarity NPD4695 Discontinued
0.5918 Remote Similarity NPD5223 Approved
0.5914 Remote Similarity NPD7983 Approved
0.5895 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5889 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5882 Remote Similarity NPD3617 Approved
0.5867 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5859 Remote Similarity NPD5226 Approved
0.5859 Remote Similarity NPD5211 Phase 2
0.5859 Remote Similarity NPD4633 Approved
0.5859 Remote Similarity NPD5224 Approved
0.5859 Remote Similarity NPD5225 Approved
0.5842 Remote Similarity NPD6402 Approved
0.5842 Remote Similarity NPD7128 Approved
0.5842 Remote Similarity NPD6675 Approved
0.5842 Remote Similarity NPD5739 Approved
0.5833 Remote Similarity NPD7839 Suspended
0.5806 Remote Similarity NPD46 Approved
0.5806 Remote Similarity NPD6698 Approved
0.58 Remote Similarity NPD4754 Approved
0.58 Remote Similarity NPD5175 Approved
0.58 Remote Similarity NPD5174 Approved
0.5789 Remote Similarity NPD5282 Discontinued
0.5773 Remote Similarity NPD7902 Approved
0.5769 Remote Similarity NPD4634 Approved
0.5743 Remote Similarity NPD5141 Approved
0.573 Remote Similarity NPD6110 Phase 1
0.573 Remote Similarity NPD5362 Discontinued
0.573 Remote Similarity NPD7154 Phase 3
0.5728 Remote Similarity NPD6899 Approved
0.5728 Remote Similarity NPD6881 Approved
0.5728 Remote Similarity NPD7320 Approved
0.5714 Remote Similarity NPD29 Approved
0.5714 Remote Similarity NPD28 Approved
0.5714 Remote Similarity NPD6422 Discontinued
0.5699 Remote Similarity NPD4753 Phase 2
0.5698 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5698 Remote Similarity NPD3732 Approved
0.5694 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5686 Remote Similarity NPD4768 Approved
0.5686 Remote Similarity NPD4767 Approved
0.5684 Remote Similarity NPD6399 Phase 3
0.5676 Remote Similarity NPD8779 Phase 3
0.5673 Remote Similarity NPD6373 Approved
0.5673 Remote Similarity NPD6372 Approved
0.5667 Remote Similarity NPD3668 Phase 3
0.5631 Remote Similarity NPD5697 Approved
0.5631 Remote Similarity NPD5701 Approved
0.5619 Remote Similarity NPD7102 Approved
0.5619 Remote Similarity NPD7290 Approved
0.5619 Remote Similarity NPD6883 Approved
0.5618 Remote Similarity NPD4223 Phase 3
0.5618 Remote Similarity NPD4221 Approved
0.5604 Remote Similarity NPD5329 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3590504
ZINC  

Physicochemical Properties

Molecular Weight:  308.24
ALogP:  -3.3329
MLogP:  3.22
XLogP:  5.007
# Rotatable Bonds:  14
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  22

Download Data

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