Natural Product: NPC252978

Natural Product ID:  NPC252978
Common Name:   (Z)-Tetradec-9-En-1-Ol
IUPAC Name:   (Z)-tetradec-9-en-1-ol
Synonyms:  
Molecular Formula:   C14H28O
Standard InCHIKey:  GSAAJQNJNPBBSX-WAYWQWQTSA-N
Standard InCHI:  InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,15H,2-4,7-14H2,1H3/b6-5-
Canonical SMILES:  CCCC/C=CCCCCCCCCO
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
NPO19826 Helicoverpa armigera Species Noctuidae Eukaryota UNPD*
NPO21300 Zanthoxylum carolinianum Species Rutaceae Eukaryota UNPD*
NPO2731 Craterellus tubaeformis Species Cantharellaceae Eukaryota UNPD*
NPO23078 Coniesta ignefusalis NA NA NA UNPD*
NPO21946 Fissistigma polyanthum Species Annonaceae Eukaryota UNPD*
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set

  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 NPC252978 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
0.9524 High Similarity NPC76976
0.875 High Similarity NPC40434
0.875 High Similarity NPC34873
0.8409 Intermediate Similarity NPC108195
0.8125 Intermediate Similarity NPC129263
0.8 Intermediate Similarity NPC256209
0.8 Intermediate Similarity NPC49059
0.7955 Intermediate Similarity NPC249801
0.7955 Intermediate Similarity NPC46248
0.7826 Intermediate Similarity NPC165651
0.7826 Intermediate Similarity NPC24824
0.7826 Intermediate Similarity NPC276825
0.7826 Intermediate Similarity NPC210560
0.78 Intermediate Similarity NPC26102
0.78 Intermediate Similarity NPC187361
0.78 Intermediate Similarity NPC34577
0.78 Intermediate Similarity NPC477724
0.7674 Intermediate Similarity NPC15934
0.7556 Intermediate Similarity NPC149668
0.75 Intermediate Similarity NPC52264
0.75 Intermediate Similarity NPC477726
0.75 Intermediate Similarity NPC477725
0.7451 Intermediate Similarity NPC474496
0.7447 Intermediate Similarity NPC87439
0.7447 Intermediate Similarity NPC269074
0.7407 Intermediate Similarity NPC10017
0.74 Intermediate Similarity NPC474495
0.74 Intermediate Similarity NPC473672
0.74 Intermediate Similarity NPC151782
0.7358 Intermediate Similarity NPC475384
0.7358 Intermediate Similarity NPC470967
0.7358 Intermediate Similarity NPC471960
0.7358 Intermediate Similarity NPC161838
0.7358 Intermediate Similarity NPC477661
0.7358 Intermediate Similarity NPC470966
0.7358 Intermediate Similarity NPC473847
0.7358 Intermediate Similarity NPC470968
0.7358 Intermediate Similarity NPC470969
0.7347 Intermediate Similarity NPC98284
0.7347 Intermediate Similarity NPC302310
0.7347 Intermediate Similarity NPC207815
0.7308 Intermediate Similarity NPC137538
0.7308 Intermediate Similarity NPC110732
0.7292 Intermediate Similarity NPC55063
0.7292 Intermediate Similarity NPC19834
0.7273 Intermediate Similarity NPC325550
0.7273 Intermediate Similarity NPC329003
0.7273 Intermediate Similarity NPC326524
0.7255 Intermediate Similarity NPC188341
0.7255 Intermediate Similarity NPC281245
0.7255 Intermediate Similarity NPC49494
0.7222 Intermediate Similarity NPC470970
0.7209 Intermediate Similarity NPC216416
0.72 Intermediate Similarity NPC72699
0.7174 Intermediate Similarity NPC304151
0.717 Intermediate Similarity NPC227135
0.717 Intermediate Similarity NPC475353
0.717 Intermediate Similarity NPC473735
0.717 Intermediate Similarity NPC130209
0.717 Intermediate Similarity NPC148163
0.717 Intermediate Similarity NPC473896
0.717 Intermediate Similarity NPC473721
0.717 Intermediate Similarity NPC317899
0.717 Intermediate Similarity NPC148216
0.717 Intermediate Similarity NPC473725
0.717 Intermediate Similarity NPC473910
0.7143 Intermediate Similarity NPC243532
0.7115 Intermediate Similarity NPC139029
0.7115 Intermediate Similarity NPC1813
0.7115 Intermediate Similarity NPC36061
0.7115 Intermediate Similarity NPC294548
0.7111 Intermediate Similarity NPC27444
0.7111 Intermediate Similarity NPC329762
0.7111 Intermediate Similarity NPC103236
0.7091 Intermediate Similarity NPC321030
0.7091 Intermediate Similarity NPC469373
0.7083 Intermediate Similarity NPC140501
0.7073 Intermediate Similarity NPC63121
0.7073 Intermediate Similarity NPC197356
0.7059 Intermediate Similarity NPC261571
0.7059 Intermediate Similarity NPC59408
0.7059 Intermediate Similarity NPC71053
0.7021 Intermediate Similarity NPC269862
0.7018 Intermediate Similarity NPC201939
0.7018 Intermediate Similarity NPC225342
0.7018 Intermediate Similarity NPC321838
0.7 Intermediate Similarity NPC24506
0.7 Intermediate Similarity NPC31194
0.7 Intermediate Similarity NPC248884
0.7 Intermediate Similarity NPC112242
0.7 Intermediate Similarity NPC85079
0.7 Intermediate Similarity NPC236797
0.7 Intermediate Similarity NPC147096
0.7 Intermediate Similarity NPC163556
0.7 Intermediate Similarity NPC153538
0.7 Intermediate Similarity NPC225783
0.7 Intermediate Similarity NPC185041
0.6981 Remote Similarity NPC424
0.6981 Remote Similarity NPC473532
0.6981 Remote Similarity NPC85813
0.6981 Remote Similarity NPC290563
0.6981 Remote Similarity NPC6095
0.6981 Remote Similarity NPC88966
0.6981 Remote Similarity NPC32467
0.6981 Remote Similarity NPC25417
0.6981 Remote Similarity NPC281972
0.6981 Remote Similarity NPC87564
0.6981 Remote Similarity NPC261831
0.6981 Remote Similarity NPC154245
0.6977 Remote Similarity NPC213767
0.6964 Remote Similarity NPC122239
0.6957 Remote Similarity NPC469713
0.6939 Remote Similarity NPC180575
0.6923 Remote Similarity NPC92114
0.6909 Remote Similarity NPC52012
0.6897 Remote Similarity NPC29697
0.6889 Remote Similarity NPC182840
0.6889 Remote Similarity NPC103213
0.6889 Remote Similarity NPC255042
0.6889 Remote Similarity NPC29091
0.6875 Remote Similarity NPC101616
0.6863 Remote Similarity NPC473913
0.6863 Remote Similarity NPC20934
0.6863 Remote Similarity NPC59051
0.6863 Remote Similarity NPC288381
0.6863 Remote Similarity NPC249670
0.6863 Remote Similarity NPC474642
0.6852 Remote Similarity NPC281590
0.6842 Remote Similarity NPC240506
0.6829 Remote Similarity NPC126915
0.6809 Remote Similarity NPC206906
0.6809 Remote Similarity NPC67920
0.6809 Remote Similarity NPC287397
0.6809 Remote Similarity NPC298710
0.6792 Remote Similarity NPC70387
0.6792 Remote Similarity NPC284224
0.6792 Remote Similarity NPC217188
0.6792 Remote Similarity NPC321062
0.6786 Remote Similarity NPC226848
0.6786 Remote Similarity NPC475830
0.678 Remote Similarity NPC300593
0.678 Remote Similarity NPC470320
0.678 Remote Similarity NPC110241
0.6744 Remote Similarity NPC58957
0.6731 Remote Similarity NPC244038
0.6731 Remote Similarity NPC93639
0.6731 Remote Similarity NPC29234
0.6727 Remote Similarity NPC477201
0.6727 Remote Similarity NPC179764
0.6727 Remote Similarity NPC18951
0.6727 Remote Similarity NPC187777
0.6727 Remote Similarity NPC48891
0.6727 Remote Similarity NPC274396
0.6724 Remote Similarity NPC475984
0.6724 Remote Similarity NPC47333
0.6724 Remote Similarity NPC475251
0.6724 Remote Similarity NPC320305
0.6724 Remote Similarity NPC66460
0.6724 Remote Similarity NPC328776
0.6724 Remote Similarity NPC325929
0.6724 Remote Similarity NPC271282
0.6667 Remote Similarity NPC136164
0.6667 Remote Similarity NPC291158
0.6667 Remote Similarity NPC181516
0.6667 Remote Similarity NPC272998
0.6667 Remote Similarity NPC319034
0.6667 Remote Similarity NPC15162
0.6667 Remote Similarity NPC308844
0.6667 Remote Similarity NPC471275
0.6667 Remote Similarity NPC116934
0.6667 Remote Similarity NPC125122
0.6667 Remote Similarity NPC255863
0.6667 Remote Similarity NPC72324
0.6667 Remote Similarity NPC193062
0.6667 Remote Similarity NPC66124
0.6667 Remote Similarity NPC471276
0.6667 Remote Similarity NPC471280
0.6667 Remote Similarity NPC62755
0.6667 Remote Similarity NPC185538
0.6667 Remote Similarity NPC245947
0.6667 Remote Similarity NPC1748
0.6667 Remote Similarity NPC149821
0.6667 Remote Similarity NPC139131
0.6667 Remote Similarity NPC205141
0.6667 Remote Similarity NPC5413
0.661 Remote Similarity NPC211291
0.661 Remote Similarity NPC473759
0.661 Remote Similarity NPC279200
0.661 Remote Similarity NPC473508
0.661 Remote Similarity NPC133368
0.661 Remote Similarity NPC470965
0.661 Remote Similarity NPC474155
0.6607 Remote Similarity NPC225929
0.6607 Remote Similarity NPC168308
0.6607 Remote Similarity NPC302569
0.6604 Remote Similarity NPC306195
0.6604 Remote Similarity NPC35756
0.6604 Remote Similarity NPC179169
0.6604 Remote Similarity NPC181255
0.6604 Remote Similarity NPC157781

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC252978 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
0.717 Intermediate Similarity NPD342 Phase 1
0.7115 Intermediate Similarity NPD3172 Approved
0.7083 Intermediate Similarity NPD4265 Approved
0.6981 Remote Similarity NPD3195 Phase 2
0.6981 Remote Similarity NPD3196 Approved
0.6981 Remote Similarity NPD4266 Approved
0.6981 Remote Similarity NPD3194 Approved
0.678 Remote Similarity NPD3197 Phase 1
0.6667 Remote Similarity NPD2272 Approved
0.6667 Remote Similarity NPD5383 Approved
0.6667 Remote Similarity NPD3173 Approved
0.6552 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6471 Remote Similarity NPD622 Approved
0.6415 Remote Similarity NPD29 Approved
0.6415 Remote Similarity NPD28 Approved
0.64 Remote Similarity NPD39 Approved
0.64 Remote Similarity NPD4222 Approved
0.6167 Remote Similarity NPD6949 Clinical (unspecified phase)
0.6167 Remote Similarity NPD368 Approved
0.614 Remote Similarity NPD4219 Approved
0.6078 Remote Similarity NPD3174 Discontinued
0.6066 Remote Similarity NPD3210 Clinical (unspecified phase)
0.6 Remote Similarity NPD5326 Phase 3
0.5909 Remote Similarity NPD7143 Approved
0.5909 Remote Similarity NPD7144 Approved
0.5849 Remote Similarity NPD5343 Approved
0.5821 Remote Similarity NPD7152 Approved
0.5821 Remote Similarity NPD7151 Approved
0.5821 Remote Similarity NPD7150 Approved
0.5758 Remote Similarity NPD6922 Approved
0.5758 Remote Similarity NPD6923 Approved
0.5692 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5667 Remote Similarity NPD6109 Phase 1
0.5667 Remote Similarity NPD585 Clinical (unspecified phase)
0.5652 Remote Similarity NPD6926 Approved
0.5652 Remote Similarity NPD6924 Approved

Structure

External Identifiers

PubChem CID   5364712
ChEMBL   CHEMBL1904946
ZINC  

Physicochemical Properties

Molecular Weight:  212.21
ALogP:  -1.7224
MLogP:  2.89
XLogP:  6.025
# Rotatable Bonds:  13
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  
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Biological Activities  
Similar NPs/Drugs