Natural Product: NPC323436

Natural Product ID:  NPC323436
Common Name:   (5Z,8Z,11Z,14Z)-17,18-Dihydroxyicosa-5,8,11,14-Tetraenoic Acid
IUPAC Name:   (5Z,8Z,11Z,14Z)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms:  
Molecular Formula:   C20H32O4
Standard InCHIKey:  XYDVGNAQQFWZEF-JPURVOHMSA-N
Standard InCHI:  InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-
Canonical SMILES:  CCC(C(C/C=CC/C=CC/C=CC/C=CCCCC(=O)O)O)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
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[25518943]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[21359215]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 0 bpm 21591683

  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 NPC323436 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
0.9298 High Similarity NPC321838
0.9123 High Similarity NPC321919
0.9123 High Similarity NPC81896
0.8621 High Similarity NPC322186
0.8621 High Similarity NPC329249
0.8596 High Similarity NPC211752
0.8596 High Similarity NPC323597
0.8596 High Similarity NPC323498
0.8548 High Similarity NPC478097
0.8548 High Similarity NPC478100
0.8548 High Similarity NPC26500
0.8548 High Similarity NPC99619
0.8525 High Similarity NPC476657
0.8525 High Similarity NPC476655
0.8525 High Similarity NPC476654
0.8475 Intermediate Similarity NPC243532
0.8421 Intermediate Similarity NPC327388
0.8387 Intermediate Similarity NPC478101
0.8387 Intermediate Similarity NPC476659
0.8387 Intermediate Similarity NPC476656
0.8333 Intermediate Similarity NPC201939
0.8302 Intermediate Similarity NPC91495
0.8254 Intermediate Similarity NPC148192
0.8254 Intermediate Similarity NPC104537
0.8254 Intermediate Similarity NPC127091
0.8254 Intermediate Similarity NPC330426
0.8254 Intermediate Similarity NPC271921
0.8254 Intermediate Similarity NPC22101
0.8226 Intermediate Similarity NPC478099
0.8226 Intermediate Similarity NPC478098
0.8167 Intermediate Similarity NPC328311
0.8167 Intermediate Similarity NPC327112
0.8125 Intermediate Similarity NPC209327
0.8125 Intermediate Similarity NPC273508
0.8125 Intermediate Similarity NPC141481
0.8125 Intermediate Similarity NPC48218
0.8125 Intermediate Similarity NPC324981
0.8125 Intermediate Similarity NPC473559
0.807 Intermediate Similarity NPC137538
0.8065 Intermediate Similarity NPC476658
0.8033 Intermediate Similarity NPC320305
0.8033 Intermediate Similarity NPC328776
0.8 Intermediate Similarity NPC59051
0.8 Intermediate Similarity NPC322002
0.7969 Intermediate Similarity NPC473829
0.7969 Intermediate Similarity NPC25298
0.7969 Intermediate Similarity NPC475443
0.7969 Intermediate Similarity NPC49863
0.7931 Intermediate Similarity NPC52264
0.7925 Intermediate Similarity NPC117572
0.791 Intermediate Similarity NPC325627
0.7879 Intermediate Similarity NPC476660
0.7879 Intermediate Similarity NPC42526
0.7818 Intermediate Similarity NPC5413
0.7818 Intermediate Similarity NPC149821
0.7812 Intermediate Similarity NPC328653
0.7778 Intermediate Similarity NPC328089
0.7778 Intermediate Similarity NPC68343
0.7727 Intermediate Similarity NPC475982
0.7727 Intermediate Similarity NPC473772
0.7727 Intermediate Similarity NPC130618
0.7719 Intermediate Similarity NPC92114
0.7705 Intermediate Similarity NPC318306
0.7656 Intermediate Similarity NPC323045
0.7656 Intermediate Similarity NPC326268
0.7656 Intermediate Similarity NPC136164
0.7656 Intermediate Similarity NPC245947
0.7656 Intermediate Similarity NPC320642
0.7656 Intermediate Similarity NPC323477
0.7656 Intermediate Similarity NPC318420
0.7656 Intermediate Similarity NPC255863
0.7656 Intermediate Similarity NPC317881
0.7647 Intermediate Similarity NPC470435
0.7636 Intermediate Similarity NPC207292
0.7586 Intermediate Similarity NPC70387
0.7586 Intermediate Similarity NPC321062
0.7547 Intermediate Similarity NPC270796
0.7544 Intermediate Similarity NPC48162
0.7538 Intermediate Similarity NPC83965
0.7536 Intermediate Similarity NPC474321
0.75 Intermediate Similarity NPC477201
0.75 Intermediate Similarity NPC470320
0.746 Intermediate Similarity NPC113293
0.7458 Intermediate Similarity NPC88966
0.7458 Intermediate Similarity NPC6095
0.7458 Intermediate Similarity NPC87564
0.7458 Intermediate Similarity NPC25417
0.7458 Intermediate Similarity NPC290563
0.7458 Intermediate Similarity NPC85813
0.7458 Intermediate Similarity NPC154245
0.7458 Intermediate Similarity NPC261831
0.7458 Intermediate Similarity NPC322461
0.7458 Intermediate Similarity NPC32467
0.7458 Intermediate Similarity NPC424
0.7458 Intermediate Similarity NPC281972
0.7419 Intermediate Similarity NPC278202
0.7385 Intermediate Similarity NPC176215
0.7385 Intermediate Similarity NPC296436
0.7385 Intermediate Similarity NPC19769
0.7361 Intermediate Similarity NPC133377
0.7353 Intermediate Similarity NPC318766
0.7344 Intermediate Similarity NPC54925
0.7324 Intermediate Similarity NPC470899
0.7288 Intermediate Similarity NPC36061
0.7288 Intermediate Similarity NPC217188
0.7288 Intermediate Similarity NPC294548
0.7288 Intermediate Similarity NPC139029
0.7288 Intermediate Similarity NPC1813
0.7273 Intermediate Similarity NPC201356
0.7273 Intermediate Similarity NPC146811
0.7246 Intermediate Similarity NPC477983
0.7246 Intermediate Similarity NPC477981
0.7241 Intermediate Similarity NPC470411
0.7241 Intermediate Similarity NPC28205
0.7241 Intermediate Similarity NPC284212
0.7231 Intermediate Similarity NPC475221
0.7231 Intermediate Similarity NPC226592
0.7222 Intermediate Similarity NPC110813
0.7213 Intermediate Similarity NPC18951
0.7213 Intermediate Similarity NPC324224
0.7213 Intermediate Similarity NPC472808
0.7213 Intermediate Similarity NPC325977
0.7206 Intermediate Similarity NPC143396
0.7206 Intermediate Similarity NPC470436
0.7206 Intermediate Similarity NPC236208
0.7206 Intermediate Similarity NPC317583
0.7193 Intermediate Similarity NPC163345
0.7188 Intermediate Similarity NPC477829
0.7188 Intermediate Similarity NPC64971
0.7188 Intermediate Similarity NPC475984
0.7188 Intermediate Similarity NPC26810
0.7183 Intermediate Similarity NPC260396
0.7183 Intermediate Similarity NPC473948
0.7164 Intermediate Similarity NPC193029
0.7164 Intermediate Similarity NPC473357
0.7143 Intermediate Similarity NPC478095
0.7143 Intermediate Similarity NPC42304
0.7143 Intermediate Similarity NPC274927
0.7143 Intermediate Similarity NPC106851
0.7143 Intermediate Similarity NPC284006
0.7123 Intermediate Similarity NPC317263
0.7121 Intermediate Similarity NPC96414
0.7119 Intermediate Similarity NPC281245
0.7119 Intermediate Similarity NPC129458
0.7077 Intermediate Similarity NPC29697
0.7077 Intermediate Similarity NPC470965
0.7069 Intermediate Similarity NPC225974
0.7067 Intermediate Similarity NPC474980
0.7049 Intermediate Similarity NPC274290
0.7049 Intermediate Similarity NPC28779
0.7049 Intermediate Similarity NPC128061
0.7049 Intermediate Similarity NPC473863
0.7049 Intermediate Similarity NPC10316
0.7049 Intermediate Similarity NPC281590
0.7049 Intermediate Similarity NPC200845
0.7049 Intermediate Similarity NPC223677
0.7042 Intermediate Similarity NPC473489
0.7042 Intermediate Similarity NPC315843
0.7042 Intermediate Similarity NPC227396
0.7042 Intermediate Similarity NPC107654
0.7015 Intermediate Similarity NPC137163
0.7015 Intermediate Similarity NPC276299
0.7 Intermediate Similarity NPC293114
0.7 Intermediate Similarity NPC225066
0.7 Intermediate Similarity NPC39633
0.7 Intermediate Similarity NPC139545
0.7 Intermediate Similarity NPC284224
0.7 Intermediate Similarity NPC10081
0.7 Intermediate Similarity NPC67076
0.7 Intermediate Similarity NPC319163
0.7 Intermediate Similarity NPC309606
0.6984 Remote Similarity NPC478096
0.6949 Remote Similarity NPC262968
0.6944 Remote Similarity NPC473582
0.6935 Remote Similarity NPC187777
0.6935 Remote Similarity NPC179764
0.6923 Remote Similarity NPC40082
0.6923 Remote Similarity NPC66460
0.6923 Remote Similarity NPC325929
0.6923 Remote Similarity NPC271282
0.6912 Remote Similarity NPC122627
0.6892 Remote Similarity NPC11796
0.6892 Remote Similarity NPC323249
0.6892 Remote Similarity NPC27949
0.6892 Remote Similarity NPC218817
0.6892 Remote Similarity NPC39547
0.6892 Remote Similarity NPC182292
0.6892 Remote Similarity NPC260814
0.6875 Remote Similarity NPC329424
0.6875 Remote Similarity NPC222852
0.6875 Remote Similarity NPC329550
0.6866 Remote Similarity NPC282760
0.6857 Remote Similarity NPC329904
0.6857 Remote Similarity NPC202011
0.6857 Remote Similarity NPC476012
0.6857 Remote Similarity NPC473361
0.6857 Remote Similarity NPC476037
0.6849 Remote Similarity NPC279537
0.6849 Remote Similarity NPC190400
0.6849 Remote Similarity NPC49392

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC323436 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
0.8361 Intermediate Similarity NPD3197 Phase 1
0.8167 Intermediate Similarity NPD4246 Clinical (unspecified phase)
0.8136 Intermediate Similarity NPD6109 Phase 1
0.7969 Intermediate Similarity NPD4247 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD4222 Approved
0.7925 Intermediate Similarity NPD39 Approved
0.7818 Intermediate Similarity NPD3173 Approved
0.7636 Intermediate Similarity NPD5343 Approved
0.7547 Intermediate Similarity NPD5326 Phase 3
0.7458 Intermediate Similarity NPD4266 Approved
0.7458 Intermediate Similarity NPD3194 Approved
0.7458 Intermediate Similarity NPD3196 Approved
0.7458 Intermediate Similarity NPD3195 Phase 2
0.7288 Intermediate Similarity NPD3172 Approved
0.7273 Intermediate Similarity NPD3174 Discontinued
0.7091 Intermediate Similarity NPD6096 Approved
0.7091 Intermediate Similarity NPD6097 Approved
0.6949 Remote Similarity NPD29 Approved
0.6949 Remote Similarity NPD28 Approved
0.6892 Remote Similarity NPD4268 Approved
0.6892 Remote Similarity NPD4271 Approved
0.6711 Remote Similarity NPD4822 Approved
0.6711 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6711 Remote Similarity NPD4819 Approved
0.6711 Remote Similarity NPD4821 Approved
0.6711 Remote Similarity NPD4252 Approved
0.6711 Remote Similarity NPD4820 Approved
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6623 Remote Similarity NPD5369 Approved
0.6538 Remote Similarity NPD4270 Approved
0.6538 Remote Similarity NPD4269 Approved
0.6494 Remote Similarity NPD5368 Approved
0.6456 Remote Similarity NPD7154 Phase 3
0.6456 Remote Similarity NPD5332 Approved
0.6456 Remote Similarity NPD5331 Approved
0.6456 Remote Similarity NPD5362 Discontinued
0.6441 Remote Similarity NPD622 Approved
0.641 Remote Similarity NPD4790 Discontinued
0.6393 Remote Similarity NPD6927 Phase 3
0.6379 Remote Similarity NPD4265 Approved
0.6349 Remote Similarity NPD3728 Approved
0.6349 Remote Similarity NPD3730 Approved
0.6329 Remote Similarity NPD6435 Approved
0.6296 Remote Similarity NPD5363 Approved
0.6235 Remote Similarity NPD7983 Approved
0.622 Remote Similarity NPD5786 Approved
0.6212 Remote Similarity NPD585 Clinical (unspecified phase)
0.6173 Remote Similarity NPD5766 Clinical (unspecified phase)
0.6145 Remote Similarity NPD4250 Approved
0.6145 Remote Similarity NPD4251 Approved
0.6118 Remote Similarity NPD6698 Approved
0.6118 Remote Similarity NPD46 Approved
0.6076 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6026 Remote Similarity NPD3732 Approved
0.6024 Remote Similarity NPD4249 Approved
0.6 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6 Remote Similarity NPD5370 Suspended
0.6 Remote Similarity NPD6101 Approved
0.593 Remote Similarity NPD5785 Approved
0.593 Remote Similarity NPD7838 Discovery
0.5897 Remote Similarity NPD4756 Discovery
0.5893 Remote Similarity NPD5783 Phase 3
0.5862 Remote Similarity NPD6411 Approved
0.5862 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5857 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5854 Remote Similarity NPD6110 Phase 1
0.5846 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5833 Remote Similarity NPD3704 Approved
0.5821 Remote Similarity NPD8779 Phase 3
0.5806 Remote Similarity NPD4220 Pre-registration
0.5795 Remote Similarity NPD5779 Approved
0.5795 Remote Similarity NPD5778 Approved
0.5714 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5682 Remote Similarity NPD7637 Suspended
0.5647 Remote Similarity NPD6422 Discontinued
0.5645 Remote Similarity NPD6125 Clinical (unspecified phase)
0.5634 Remote Similarity NPD3210 Clinical (unspecified phase)
0.5616 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5616 Remote Similarity NPD7331 Phase 2
0.5604 Remote Similarity NPD7839 Suspended

Structure

External Identifiers

PubChem CID   16061120
ChEMBL   CHEMBL1802677
ZINC  

Physicochemical Properties

Molecular Weight:  336.23
ALogP:  0.8185
MLogP:  3.22
XLogP:  5.023
# Rotatable Bonds:  18
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  24

Download Data

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