Natural Product: NPC15934

Natural Product ID:  NPC15934
Common Name:   (2Z,5Z,8Z)-Tetradeca-2,5,8-Trien-1-Ol
IUPAC Name:   (2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-ol
Synonyms:  
Molecular Formula:   C14H24O
Standard InCHIKey:  SDHMNCFOUZBWRO-QNEBEIHSSA-N
Standard InCHI:  InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-10,12-13,15H,2-5,8,11,14H2,1H3/b7-6-,10-9-,13-12-
Canonical SMILES:  CCCCC/C=CC/C=CC/C=CCO
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
NPO33466 Homaxinella Genus Eukaryota PMID[15104515]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens ED50 > 30 ug/ml 24858543
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 74.1 ug/ml 21875800
NPT574 Cell Line XF498 Homo sapiens ED50 = 30 ug/ml 21875800
NPT146 Cell Line SK-OV-3 Homo sapiens ED50 = 19.8 ug/ml 19754199
NPT148 Cell Line HCT-15 Homo sapiens ED50 = 25.5 ug/ml 24279769

  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 NPC15934 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
0.9231 High Similarity NPC304151
0.8947 High Similarity NPC29091
0.8947 High Similarity NPC103213
0.8947 High Similarity NPC182840
0.8947 High Similarity NPC255042
0.8889 High Similarity NPC58957
0.875 High Similarity NPC206906
0.8611 High Similarity NPC250734
0.8571 High Similarity NPC269074
0.85 High Similarity NPC269823
0.8372 Intermediate Similarity NPC180575
0.8333 Intermediate Similarity NPC138935
0.8293 Intermediate Similarity NPC256766
0.8293 Intermediate Similarity NPC213538
0.8205 Intermediate Similarity NPC34873
0.8205 Intermediate Similarity NPC40434
0.8095 Intermediate Similarity NPC116934
0.8 Intermediate Similarity NPC248884
0.8 Intermediate Similarity NPC31194
0.8 Intermediate Similarity NPC85079
0.8 Intermediate Similarity NPC153538
0.7955 Intermediate Similarity NPC124183
0.7955 Intermediate Similarity NPC55063
0.7955 Intermediate Similarity NPC35141
0.7955 Intermediate Similarity NPC19834
0.7907 Intermediate Similarity NPC101616
0.7826 Intermediate Similarity NPC249670
0.7826 Intermediate Similarity NPC474642
0.7826 Intermediate Similarity NPC473913
0.7826 Intermediate Similarity NPC72699
0.7805 Intermediate Similarity NPC27444
0.7805 Intermediate Similarity NPC329762
0.7805 Intermediate Similarity NPC103236
0.7727 Intermediate Similarity NPC140501
0.7727 Intermediate Similarity NPC160628
0.7674 Intermediate Similarity NPC252978
0.766 Intermediate Similarity NPC93639
0.766 Intermediate Similarity NPC151782
0.766 Intermediate Similarity NPC71053
0.766 Intermediate Similarity NPC59408
0.7609 Intermediate Similarity NPC471280
0.7609 Intermediate Similarity NPC471276
0.7609 Intermediate Similarity NPC125122
0.7609 Intermediate Similarity NPC471275
0.75 Intermediate Similarity NPC35756
0.75 Intermediate Similarity NPC108195
0.75 Intermediate Similarity NPC142092
0.7447 Intermediate Similarity NPC474460
0.7447 Intermediate Similarity NPC475071
0.7447 Intermediate Similarity NPC182102
0.7447 Intermediate Similarity NPC477727
0.7447 Intermediate Similarity NPC26960
0.7447 Intermediate Similarity NPC328784
0.7447 Intermediate Similarity NPC471281
0.7447 Intermediate Similarity NPC291437
0.7447 Intermediate Similarity NPC199286
0.7442 Intermediate Similarity NPC46248
0.7442 Intermediate Similarity NPC149668
0.7442 Intermediate Similarity NPC249801
0.7368 Intermediate Similarity NPC63121
0.7368 Intermediate Similarity NPC197356
0.7347 Intermediate Similarity NPC61177
0.7333 Intermediate Similarity NPC76976
0.7333 Intermediate Similarity NPC276825
0.7292 Intermediate Similarity NPC197272
0.7292 Intermediate Similarity NPC256656
0.7292 Intermediate Similarity NPC9273
0.7292 Intermediate Similarity NPC294278
0.7292 Intermediate Similarity NPC474495
0.7292 Intermediate Similarity NPC473672
0.7292 Intermediate Similarity NPC165447
0.7292 Intermediate Similarity NPC329608
0.7292 Intermediate Similarity NPC89824
0.7292 Intermediate Similarity NPC475477
0.7292 Intermediate Similarity NPC477723
0.7292 Intermediate Similarity NPC170776
0.7292 Intermediate Similarity NPC244038
0.7292 Intermediate Similarity NPC129263
0.7292 Intermediate Similarity NPC224148
0.7292 Intermediate Similarity NPC471959
0.7292 Intermediate Similarity NPC76198
0.7292 Intermediate Similarity NPC55383
0.725 Intermediate Similarity NPC79544
0.725 Intermediate Similarity NPC213767
0.7234 Intermediate Similarity NPC267110
0.72 Intermediate Similarity NPC256209
0.72 Intermediate Similarity NPC49059
0.72 Intermediate Similarity NPC110732
0.7179 Intermediate Similarity NPC81989
0.7073 Intermediate Similarity NPC216416
0.7059 Intermediate Similarity NPC474644
0.7059 Intermediate Similarity NPC317899
0.7045 Intermediate Similarity NPC51758
0.7045 Intermediate Similarity NPC108494
0.7045 Intermediate Similarity NPC88079
0.7045 Intermediate Similarity NPC209279
0.7045 Intermediate Similarity NPC67761
0.7045 Intermediate Similarity NPC68889
0.7045 Intermediate Similarity NPC194586
0.7045 Intermediate Similarity NPC180871
0.7 Intermediate Similarity NPC474496
0.7 Intermediate Similarity NPC34577
0.6977 Remote Similarity NPC56917
0.6957 Remote Similarity NPC24824
0.6957 Remote Similarity NPC210560
0.6957 Remote Similarity NPC165651
0.6923 Remote Similarity NPC249645
0.6923 Remote Similarity NPC474643
0.6923 Remote Similarity NPC472808
0.6923 Remote Similarity NPC55412
0.6923 Remote Similarity NPC473865
0.6923 Remote Similarity NPC324224
0.6875 Remote Similarity NPC302310
0.6863 Remote Similarity NPC48058
0.6863 Remote Similarity NPC189677
0.6863 Remote Similarity NPC473532
0.6842 Remote Similarity NPC242117
0.6818 Remote Similarity NPC469713
0.6818 Remote Similarity NPC33489
0.6809 Remote Similarity NPC157096
0.6792 Remote Similarity NPC212730
0.6792 Remote Similarity NPC44542
0.6792 Remote Similarity NPC265551
0.6792 Remote Similarity NPC193975
0.6744 Remote Similarity NPC171978
0.6744 Remote Similarity NPC33761
0.6744 Remote Similarity NPC277382
0.6739 Remote Similarity NPC6963
0.6739 Remote Similarity NPC304079
0.6731 Remote Similarity NPC148163
0.6731 Remote Similarity NPC473910
0.6731 Remote Similarity NPC475353
0.6731 Remote Similarity NPC232247
0.6731 Remote Similarity NPC130209
0.6731 Remote Similarity NPC474513
0.6731 Remote Similarity NPC477726
0.6731 Remote Similarity NPC473721
0.6731 Remote Similarity NPC477725
0.6731 Remote Similarity NPC146551
0.6731 Remote Similarity NPC473725
0.6731 Remote Similarity NPC298299
0.6731 Remote Similarity NPC148216
0.6731 Remote Similarity NPC473896
0.6731 Remote Similarity NPC251666
0.6731 Remote Similarity NPC473735
0.6731 Remote Similarity NPC470963
0.6731 Remote Similarity NPC329686
0.6731 Remote Similarity NPC152668
0.6731 Remote Similarity NPC227135
0.6731 Remote Similarity NPC471239
0.6667 Remote Similarity NPC181872
0.6667 Remote Similarity NPC67920
0.6667 Remote Similarity NPC298710
0.6667 Remote Similarity NPC287397
0.6667 Remote Similarity NPC208936
0.6667 Remote Similarity NPC217188
0.6604 Remote Similarity NPC470969
0.6604 Remote Similarity NPC311648
0.6604 Remote Similarity NPC48891
0.6604 Remote Similarity NPC161838
0.6604 Remote Similarity NPC470968
0.6604 Remote Similarity NPC470967
0.6604 Remote Similarity NPC473847
0.6604 Remote Similarity NPC475384
0.6604 Remote Similarity NPC471960
0.6604 Remote Similarity NPC470966
0.6604 Remote Similarity NPC470964
0.6604 Remote Similarity NPC477661
0.66 Remote Similarity NPC29234
0.66 Remote Similarity NPC200772
0.6596 Remote Similarity NPC221379
0.6579 Remote Similarity NPC34671
0.6545 Remote Similarity NPC318306
0.6522 Remote Similarity NPC269862
0.6512 Remote Similarity NPC155880
0.6512 Remote Similarity NPC92863
0.6481 Remote Similarity NPC129150
0.6481 Remote Similarity NPC48968
0.6481 Remote Similarity NPC472445
0.6481 Remote Similarity NPC594
0.6481 Remote Similarity NPC71755
0.6481 Remote Similarity NPC11130
0.6481 Remote Similarity NPC470970
0.6471 Remote Similarity NPC195986
0.6471 Remote Similarity NPC68014
0.6471 Remote Similarity NPC208638
0.6458 Remote Similarity NPC308331
0.6444 Remote Similarity NPC188596
0.6444 Remote Similarity NPC221250
0.6429 Remote Similarity NPC130807
0.6429 Remote Similarity NPC327112
0.6429 Remote Similarity NPC471278
0.64 Remote Similarity NPC473768
0.64 Remote Similarity NPC288381
0.64 Remote Similarity NPC20934
0.6383 Remote Similarity NPC12907
0.6364 Remote Similarity NPC155025
0.6364 Remote Similarity NPC223679
0.6364 Remote Similarity NPC226848
0.6364 Remote Similarity NPC217923

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC15934 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
0.7727 Intermediate Similarity NPD4265 Approved
0.6923 Remote Similarity NPD4219 Approved
0.6731 Remote Similarity NPD342 Phase 1
0.6531 Remote Similarity NPD4220 Pre-registration
0.6429 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6364 Remote Similarity NPD585 Clinical (unspecified phase)
0.625 Remote Similarity NPD39 Approved
0.6207 Remote Similarity NPD3210 Clinical (unspecified phase)
0.6078 Remote Similarity NPD2268 Discontinued
0.6034 Remote Similarity NPD368 Approved
0.5918 Remote Similarity NPD4222 Approved
0.5882 Remote Similarity NPD3173 Approved
0.5833 Remote Similarity NPD5326 Phase 3
0.5806 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6097 Approved
0.5714 Remote Similarity NPD6096 Approved
0.5686 Remote Similarity NPD5343 Approved
0.566 Remote Similarity NPD6927 Phase 3
0.5652 Remote Similarity NPD5783 Phase 3
0.56 Remote Similarity NPD3174 Discontinued

Structure

External Identifiers

PubChem CID   11041984
ChEMBL   CHEMBL460757
ZINC  

Physicochemical Properties

Molecular Weight:  208.18
ALogP:  0.5224
MLogP:  2.89
XLogP:  5.571
# Rotatable Bonds:  11
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  15

Download Data

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