Natural Product: NPC477455

Natural Product ID:  NPC477455
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C19H34O3
Standard InCHIKey:  UJMNOSJXLDJKDE-HKUYNNGSSA-N
Standard InCHI:  InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-17(20)14-19-15-18(21)13-16(2)22-19/h13,17,19-20H,3-12,14-15H2,1-2H3/t17-,19-/m0/s1
Canonical SMILES:  CCCCCCCCCCC[C@@H](C[C@H]1CC(=O)C=C(O1)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
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 = 27 % 26126835
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Inhibition = -8.5 % 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 NPC477455 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
0.7778 Intermediate Similarity NPC477452
0.7746 Intermediate Similarity NPC83965
0.7703 Intermediate Similarity NPC320119
0.7606 Intermediate Similarity NPC296436
0.7606 Intermediate Similarity NPC176215
0.7571 Intermediate Similarity NPC477707
0.7568 Intermediate Similarity NPC42526
0.7531 Intermediate Similarity NPC185256
0.7529 Intermediate Similarity NPC469464
0.75 Intermediate Similarity NPC474321
0.7436 Intermediate Similarity NPC473536
0.7432 Intermediate Similarity NPC94488
0.7429 Intermediate Similarity NPC201939
0.7397 Intermediate Similarity NPC148192
0.7397 Intermediate Similarity NPC271921
0.7397 Intermediate Similarity NPC330426
0.7397 Intermediate Similarity NPC127091
0.7397 Intermediate Similarity NPC22101
0.7397 Intermediate Similarity NPC104537
0.7333 Intermediate Similarity NPC291062
0.7333 Intermediate Similarity NPC94743
0.7308 Intermediate Similarity NPC477708
0.7297 Intermediate Similarity NPC263382
0.7297 Intermediate Similarity NPC125578
0.7297 Intermediate Similarity NPC324981
0.7297 Intermediate Similarity NPC473559
0.7297 Intermediate Similarity NPC141481
0.7297 Intermediate Similarity NPC146376
0.7297 Intermediate Similarity NPC48218
0.7294 Intermediate Similarity NPC472008
0.7286 Intermediate Similarity NPC243532
0.7286 Intermediate Similarity NPC229252
0.7286 Intermediate Similarity NPC143857
0.7222 Intermediate Similarity NPC328089
0.7222 Intermediate Similarity NPC68343
0.72 Intermediate Similarity NPC317583
0.72 Intermediate Similarity NPC262673
0.7162 Intermediate Similarity NPC243272
0.7162 Intermediate Similarity NPC473829
0.7162 Intermediate Similarity NPC473752
0.7162 Intermediate Similarity NPC475443
0.716 Intermediate Similarity NPC472948
0.7143 Intermediate Similarity NPC307126
0.7143 Intermediate Similarity NPC274927
0.7143 Intermediate Similarity NPC68303
0.7143 Intermediate Similarity NPC106851
0.7143 Intermediate Similarity NPC326024
0.7123 Intermediate Similarity NPC98897
0.7105 Intermediate Similarity NPC476660
0.7083 Intermediate Similarity NPC477830
0.7059 Intermediate Similarity NPC472009
0.7051 Intermediate Similarity NPC264178
0.7027 Intermediate Similarity NPC16119
0.6986 Remote Similarity NPC474400
0.6986 Remote Similarity NPC477456
0.6986 Remote Similarity NPC34622
0.6986 Remote Similarity NPC7029
0.6986 Remote Similarity NPC477457
0.6977 Remote Similarity NPC472007
0.6977 Remote Similarity NPC471738
0.6974 Remote Similarity NPC477448
0.6974 Remote Similarity NPC10758
0.6974 Remote Similarity NPC470436
0.6974 Remote Similarity NPC477449
0.6974 Remote Similarity NPC469914
0.6974 Remote Similarity NPC473772
0.6974 Remote Similarity NPC143396
0.6974 Remote Similarity NPC250928
0.697 Remote Similarity NPC477458
0.6962 Remote Similarity NPC469414
0.6962 Remote Similarity NPC474011
0.6962 Remote Similarity NPC260396
0.6962 Remote Similarity NPC329826
0.6957 Remote Similarity NPC35717
0.6957 Remote Similarity NPC477201
0.6957 Remote Similarity NPC306908
0.6951 Remote Similarity NPC162741
0.6951 Remote Similarity NPC91332
0.6951 Remote Similarity NPC47653
0.6944 Remote Similarity NPC328776
0.6944 Remote Similarity NPC320305
0.6933 Remote Similarity NPC474619
0.6932 Remote Similarity NPC265856
0.6923 Remote Similarity NPC144419
0.6914 Remote Similarity NPC127526
0.6914 Remote Similarity NPC231739
0.6914 Remote Similarity NPC11796
0.6914 Remote Similarity NPC218817
0.6905 Remote Similarity NPC477785
0.6905 Remote Similarity NPC477786
0.6905 Remote Similarity NPC477784
0.6897 Remote Similarity NPC143025
0.6892 Remote Similarity NPC136164
0.6892 Remote Similarity NPC245947
0.6892 Remote Similarity NPC255863
0.6892 Remote Similarity NPC474304
0.6892 Remote Similarity NPC474329
0.6889 Remote Similarity NPC114162
0.6889 Remote Similarity NPC469819
0.6875 Remote Similarity NPC49392
0.6875 Remote Similarity NPC190400
0.6875 Remote Similarity NPC469646
0.686 Remote Similarity NPC475753
0.6854 Remote Similarity NPC146852
0.6849 Remote Similarity NPC143168
0.6849 Remote Similarity NPC54925
0.6849 Remote Similarity NPC151728
0.6849 Remote Similarity NPC53109
0.6849 Remote Similarity NPC57463
0.6835 Remote Similarity NPC227396
0.6835 Remote Similarity NPC476649
0.6829 Remote Similarity NPC469747
0.6829 Remote Similarity NPC263574
0.6829 Remote Similarity NPC471740
0.6812 Remote Similarity NPC200845
0.6812 Remote Similarity NPC10316
0.6812 Remote Similarity NPC28779
0.6812 Remote Similarity NPC223677
0.6812 Remote Similarity NPC128061
0.6806 Remote Similarity NPC235242
0.6806 Remote Similarity NPC122521
0.6806 Remote Similarity NPC251042
0.6806 Remote Similarity NPC174447
0.679 Remote Similarity NPC471061
0.6782 Remote Similarity NPC86005
0.6782 Remote Similarity NPC471739
0.6778 Remote Similarity NPC61275
0.6757 Remote Similarity NPC470320
0.675 Remote Similarity NPC199445
0.6747 Remote Similarity NPC103634
0.6742 Remote Similarity NPC166554
0.6739 Remote Similarity NPC472733
0.6739 Remote Similarity NPC135576
0.6739 Remote Similarity NPC93271
0.6739 Remote Similarity NPC472734
0.6712 Remote Similarity NPC40082
0.6712 Remote Similarity NPC321838
0.6711 Remote Similarity NPC26500
0.6711 Remote Similarity NPC99619
0.6709 Remote Similarity NPC185186
0.6709 Remote Similarity NPC470435
0.6709 Remote Similarity NPC327383
0.6709 Remote Similarity NPC275098
0.6707 Remote Similarity NPC478246
0.6707 Remote Similarity NPC478247
0.6707 Remote Similarity NPC182292
0.6706 Remote Similarity NPC1761
0.6706 Remote Similarity NPC52609
0.6706 Remote Similarity NPC16488
0.6705 Remote Similarity NPC476706
0.6705 Remote Similarity NPC476707
0.6703 Remote Similarity NPC477241
0.6667 Remote Similarity NPC61473
0.6667 Remote Similarity NPC53844
0.6667 Remote Similarity NPC25417
0.6667 Remote Similarity NPC316426
0.6667 Remote Similarity NPC87564
0.6667 Remote Similarity NPC315395
0.6667 Remote Similarity NPC261831
0.6667 Remote Similarity NPC239895
0.6667 Remote Similarity NPC154245
0.6667 Remote Similarity NPC318420
0.6667 Remote Similarity NPC297440
0.6667 Remote Similarity NPC281972
0.6667 Remote Similarity NPC476655
0.6667 Remote Similarity NPC27105
0.6667 Remote Similarity NPC472732
0.6667 Remote Similarity NPC469514
0.6667 Remote Similarity NPC205615
0.6667 Remote Similarity NPC472731
0.6667 Remote Similarity NPC478262
0.6667 Remote Similarity NPC424
0.6667 Remote Similarity NPC6095
0.6667 Remote Similarity NPC326268
0.6667 Remote Similarity NPC286229
0.6667 Remote Similarity NPC266119
0.6667 Remote Similarity NPC477010
0.6667 Remote Similarity NPC290563
0.6667 Remote Similarity NPC16279
0.6667 Remote Similarity NPC67254
0.6667 Remote Similarity NPC256640
0.6667 Remote Similarity NPC85813
0.6667 Remote Similarity NPC32467
0.6667 Remote Similarity NPC476657
0.6667 Remote Similarity NPC88966
0.6667 Remote Similarity NPC476654
0.663 Remote Similarity NPC279313
0.663 Remote Similarity NPC91408
0.6629 Remote Similarity NPC97577
0.6629 Remote Similarity NPC52198
0.6629 Remote Similarity NPC256902
0.6629 Remote Similarity NPC280612
0.6629 Remote Similarity NPC477017
0.6629 Remote Similarity NPC117405
0.6629 Remote Similarity NPC477016
0.6629 Remote Similarity NPC118193
0.6628 Remote Similarity NPC474251
0.6628 Remote Similarity NPC9868
0.6627 Remote Similarity NPC308545
0.6627 Remote Similarity NPC82488

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477455 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
0.726 Intermediate Similarity NPD3704 Approved
0.726 Intermediate Similarity NPD7331 Phase 2
0.7027 Intermediate Similarity NPD6108 Clinical (unspecified phase)
0.6986 Remote Similarity NPD3197 Phase 1
0.6849 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6435 Approved
0.6667 Remote Similarity NPD7341 Phase 2
0.6667 Remote Similarity NPD3196 Approved
0.6667 Remote Similarity NPD3195 Phase 2
0.6667 Remote Similarity NPD4266 Approved
0.6667 Remote Similarity NPD3194 Approved
0.6629 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6101 Approved
0.6585 Remote Similarity NPD4756 Discovery
0.6548 Remote Similarity NPD5368 Approved
0.6522 Remote Similarity NPD3172 Approved
0.6522 Remote Similarity NPD5282 Discontinued
0.6512 Remote Similarity NPD7154 Phase 3
0.6484 Remote Similarity NPD6411 Approved
0.6477 Remote Similarity NPD5786 Approved
0.6471 Remote Similarity NPD5369 Approved
0.6413 Remote Similarity NPD5778 Approved
0.6413 Remote Similarity NPD5779 Approved
0.6364 Remote Similarity NPD5363 Approved
0.6351 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6338 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7983 Approved
0.6282 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6277 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6264 Remote Similarity NPD5328 Approved
0.6232 Remote Similarity NPD28 Approved
0.6232 Remote Similarity NPD29 Approved
0.6211 Remote Similarity NPD7839 Suspended
0.6207 Remote Similarity NPD4269 Approved
0.6207 Remote Similarity NPD4270 Approved
0.6196 Remote Similarity NPD6698 Approved
0.6196 Remote Similarity NPD5785 Approved
0.6196 Remote Similarity NPD46 Approved
0.6163 Remote Similarity NPD4252 Approved
0.6136 Remote Similarity NPD6110 Phase 1
0.6129 Remote Similarity NPD6079 Approved
0.6118 Remote Similarity NPD3732 Approved
0.6067 Remote Similarity NPD3666 Approved
0.6067 Remote Similarity NPD3133 Approved
0.6067 Remote Similarity NPD3665 Phase 1
0.5977 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5977 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5972 Remote Similarity NPD3730 Approved
0.5972 Remote Similarity NPD3728 Approved
0.5946 Remote Similarity NPD8779 Phase 3
0.5942 Remote Similarity NPD3173 Approved
0.5934 Remote Similarity NPD6422 Discontinued
0.5934 Remote Similarity NPD5279 Phase 3
0.5934 Remote Similarity NPD3618 Phase 1
0.593 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5889 Remote Similarity NPD4786 Approved
0.5882 Remote Similarity NPD818 Approved
0.5882 Remote Similarity NPD6675 Approved
0.5882 Remote Similarity NPD7128 Approved
0.5882 Remote Similarity NPD819 Approved
0.5882 Remote Similarity NPD5739 Approved
0.5882 Remote Similarity NPD6402 Approved
0.587 Remote Similarity NPD4250 Approved
0.587 Remote Similarity NPD4251 Approved
0.5867 Remote Similarity NPD6109 Phase 1
0.5849 Remote Similarity NPD6053 Discontinued
0.5843 Remote Similarity NPD3667 Approved
0.5843 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5833 Remote Similarity NPD7748 Approved
0.5816 Remote Similarity NPD6084 Phase 2
0.5816 Remote Similarity NPD6083 Phase 2
0.5816 Remote Similarity NPD4755 Approved
0.5797 Remote Similarity NPD5343 Approved
0.5797 Remote Similarity NPD622 Approved
0.5795 Remote Similarity NPD4695 Discontinued
0.5789 Remote Similarity NPD7515 Phase 2
0.5789 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5778 Remote Similarity NPD5362 Discontinued
0.5769 Remote Similarity NPD6881 Approved
0.5769 Remote Similarity NPD7320 Approved
0.5769 Remote Similarity NPD6899 Approved
0.5761 Remote Similarity NPD7521 Approved
0.5761 Remote Similarity NPD7146 Approved
0.5761 Remote Similarity NPD4249 Approved
0.5761 Remote Similarity NPD7334 Approved
0.5761 Remote Similarity NPD6684 Approved
0.5761 Remote Similarity NPD6409 Approved
0.5761 Remote Similarity NPD5330 Approved
0.5747 Remote Similarity NPD4268 Approved
0.5747 Remote Similarity NPD4271 Approved
0.5745 Remote Similarity NPD5370 Suspended
0.5745 Remote Similarity NPD4753 Phase 2
0.5714 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4697 Phase 3
0.5714 Remote Similarity NPD5222 Approved
0.5714 Remote Similarity NPD6373 Approved
0.5714 Remote Similarity NPD5221 Approved
0.5714 Remote Similarity NPD6372 Approved
0.57 Remote Similarity NPD4700 Approved
0.57 Remote Similarity NPD5285 Approved
0.57 Remote Similarity NPD4696 Approved
0.57 Remote Similarity NPD5286 Approved
0.5673 Remote Similarity NPD5697 Approved
0.5673 Remote Similarity NPD5701 Approved
0.566 Remote Similarity NPD6883 Approved
0.566 Remote Similarity NPD7102 Approved
0.566 Remote Similarity NPD7290 Approved
0.5657 Remote Similarity NPD5173 Approved
0.5657 Remote Similarity NPD7902 Approved
0.5638 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5638 Remote Similarity NPD6903 Approved
0.5618 Remote Similarity NPD4820 Approved
0.5618 Remote Similarity NPD4821 Approved
0.5618 Remote Similarity NPD4819 Approved
0.5618 Remote Similarity NPD4822 Approved
0.5612 Remote Similarity NPD5695 Phase 3
0.5607 Remote Similarity NPD6649 Approved
0.5607 Remote Similarity NPD6869 Approved
0.5607 Remote Similarity NPD6847 Approved
0.5607 Remote Similarity NPD6650 Approved
0.5607 Remote Similarity NPD6617 Approved
0.5607 Remote Similarity NPD8130 Phase 1

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3590507
ZINC  

Physicochemical Properties

Molecular Weight:  310.25
ALogP:  -3.7071
MLogP:  3.22
XLogP:  5.939
# Rotatable Bonds:  15
Polar Surface Area:  46.53
# 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