Natural Product: NPC323278

Natural Product ID:  NPC323278
Common Name:   (2Z,4E)-Nona-2,4-Dienal
IUPAC Name:   (2Z,4E)-nona-2,4-dienal
Synonyms:  
Molecular Formula:   C9H14O
Standard InCHIKey:  ZHHYXNZJDGDGPJ-MDAAKZFYSA-N
Standard InCHI:  InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7-
Canonical SMILES:  CCCC/C=C/C=CC=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 saliva PMID[24421258]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34376.2 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 NPC323278 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
0.9487 High Similarity NPC208936
0.9211 High Similarity NPC33761
0.9189 High Similarity NPC8416
0.9189 High Similarity NPC279300
0.8919 High Similarity NPC75204
0.875 High Similarity NPC33489
0.8649 High Similarity NPC72258
0.8537 High Similarity NPC298710
0.8537 High Similarity NPC287397
0.8537 High Similarity NPC67920
0.85 High Similarity NPC12319
0.85 High Similarity NPC18205
0.8378 Intermediate Similarity NPC146507
0.8108 Intermediate Similarity NPC144407
0.8049 Intermediate Similarity NPC101147
0.7895 Intermediate Similarity NPC310810
0.775 Intermediate Similarity NPC254764
0.7609 Intermediate Similarity NPC324812
0.75 Intermediate Similarity NPC30433
0.7381 Intermediate Similarity NPC217923
0.7297 Intermediate Similarity NPC8466
0.7083 Intermediate Similarity NPC477789
0.6981 Remote Similarity NPC321568
0.6981 Remote Similarity NPC22019
0.6981 Remote Similarity NPC281986
0.6981 Remote Similarity NPC208749
0.6923 Remote Similarity NPC188789
0.6923 Remote Similarity NPC273054
0.6809 Remote Similarity NPC239754
0.68 Remote Similarity NPC234829
0.6792 Remote Similarity NPC477790
0.675 Remote Similarity NPC109034
0.6739 Remote Similarity NPC216921
0.6739 Remote Similarity NPC106819
0.6731 Remote Similarity NPC300121
0.6667 Remote Similarity NPC163751
0.6667 Remote Similarity NPC44363
0.6667 Remote Similarity NPC110234
0.6604 Remote Similarity NPC317899
0.6596 Remote Similarity NPC267514
0.6596 Remote Similarity NPC145755
0.6585 Remote Similarity NPC12889
0.6522 Remote Similarity NPC206906
0.6512 Remote Similarity NPC24833
0.6481 Remote Similarity NPC324224
0.6481 Remote Similarity NPC472808
0.6444 Remote Similarity NPC113082
0.6444 Remote Similarity NPC111474
0.6429 Remote Similarity NPC269641
0.6415 Remote Similarity NPC100809
0.6415 Remote Similarity NPC209431
0.6364 Remote Similarity NPC34873
0.6364 Remote Similarity NPC155880
0.6364 Remote Similarity NPC92863
0.6364 Remote Similarity NPC226511
0.6364 Remote Similarity NPC40434
0.6341 Remote Similarity NPC266979
0.6327 Remote Similarity NPC195246
0.6327 Remote Similarity NPC22098
0.6327 Remote Similarity NPC276009
0.6304 Remote Similarity NPC7754
0.6304 Remote Similarity NPC221250
0.6304 Remote Similarity NPC270170
0.6279 Remote Similarity NPC38497
0.6275 Remote Similarity NPC236338
0.625 Remote Similarity NPC60288
0.625 Remote Similarity NPC471753
0.625 Remote Similarity NPC138935
0.625 Remote Similarity NPC477686
0.625 Remote Similarity NPC114841
0.6226 Remote Similarity NPC37644
0.6222 Remote Similarity NPC15934
0.6216 Remote Similarity NPC235797
0.617 Remote Similarity NPC57923
0.614 Remote Similarity NPC82465
0.6136 Remote Similarity NPC185839
0.6122 Remote Similarity NPC270706
0.6122 Remote Similarity NPC474202
0.6122 Remote Similarity NPC474362
0.6122 Remote Similarity NPC276825
0.6122 Remote Similarity NPC166788
0.6122 Remote Similarity NPC191337
0.6111 Remote Similarity NPC478120
0.6111 Remote Similarity NPC322461
0.6087 Remote Similarity NPC48930
0.6087 Remote Similarity NPC8270
0.6087 Remote Similarity NPC123357
0.6047 Remote Similarity NPC58957
0.6042 Remote Similarity NPC301972
0.6038 Remote Similarity NPC46565
0.6038 Remote Similarity NPC106531
0.6038 Remote Similarity NPC229046
0.6 Remote Similarity NPC180575
0.6 Remote Similarity NPC471752
0.6 Remote Similarity NPC100380
0.6 Remote Similarity NPC180840
0.6 Remote Similarity NPC130923
0.6 Remote Similarity NPC138113
0.6 Remote Similarity NPC128280
0.6 Remote Similarity NPC155900
0.5965 Remote Similarity NPC21946
0.5962 Remote Similarity NPC118788
0.5962 Remote Similarity NPC15789
0.5962 Remote Similarity NPC225974
0.5962 Remote Similarity NPC275316
0.5962 Remote Similarity NPC221467
0.5962 Remote Similarity NPC288381
0.5962 Remote Similarity NPC15325
0.5962 Remote Similarity NPC20934
0.5957 Remote Similarity NPC469713
0.5952 Remote Similarity NPC197356
0.5952 Remote Similarity NPC304788
0.5952 Remote Similarity NPC63121
0.5926 Remote Similarity NPC61177
0.5926 Remote Similarity NPC284224
0.5926 Remote Similarity NPC69898
0.5926 Remote Similarity NPC295777
0.5918 Remote Similarity NPC25771
0.5918 Remote Similarity NPC6963
0.5918 Remote Similarity NPC304079
0.5918 Remote Similarity NPC12907
0.5902 Remote Similarity NPC183422
0.5893 Remote Similarity NPC325977
0.5893 Remote Similarity NPC86948
0.5882 Remote Similarity NPC471958
0.587 Remote Similarity NPC277382
0.587 Remote Similarity NPC29091
0.587 Remote Similarity NPC171978
0.587 Remote Similarity NPC255042
0.587 Remote Similarity NPC103213
0.587 Remote Similarity NPC182840
0.5849 Remote Similarity NPC43053
0.5833 Remote Similarity NPC187922
0.5833 Remote Similarity NPC44343
0.5833 Remote Similarity NPC210303
0.5833 Remote Similarity NPC304151
0.5833 Remote Similarity NPC473737
0.5833 Remote Similarity NPC179087
0.5818 Remote Similarity NPC269615
0.5818 Remote Similarity NPC129710
0.5814 Remote Similarity NPC305759
0.5814 Remote Similarity NPC99088
0.5814 Remote Similarity NPC173592
0.5814 Remote Similarity NPC250734
0.58 Remote Similarity NPC47946
0.58 Remote Similarity NPC26600
0.5789 Remote Similarity NPC129150
0.5789 Remote Similarity NPC294938
0.5789 Remote Similarity NPC71755
0.5778 Remote Similarity NPC220061
0.5769 Remote Similarity NPC145311
0.5769 Remote Similarity NPC302310
0.5769 Remote Similarity NPC207815
0.5763 Remote Similarity NPC309408
0.575 Remote Similarity NPC138325
0.575 Remote Similarity NPC262789
0.575 Remote Similarity NPC288991
0.575 Remote Similarity NPC64176
0.5745 Remote Similarity NPC329762
0.5745 Remote Similarity NPC27444
0.5745 Remote Similarity NPC103236
0.5714 Remote Similarity NPC471239
0.5714 Remote Similarity NPC292463
0.5714 Remote Similarity NPC474913
0.5714 Remote Similarity NPC297280
0.5714 Remote Similarity NPC478117
0.5714 Remote Similarity NPC252978
0.569 Remote Similarity NPC281195
0.569 Remote Similarity NPC223679
0.569 Remote Similarity NPC254095
0.569 Remote Similarity NPC385
0.5686 Remote Similarity NPC308331
0.5686 Remote Similarity NPC197467
0.5686 Remote Similarity NPC262558
0.5686 Remote Similarity NPC8610
0.566 Remote Similarity NPC163984
0.566 Remote Similarity NPC291437
0.566 Remote Similarity NPC328784
0.566 Remote Similarity NPC474391
0.566 Remote Similarity NPC58970
0.566 Remote Similarity NPC176819
0.566 Remote Similarity NPC220191
0.5652 Remote Similarity NPC63598
0.5641 Remote Similarity NPC94980
0.5636 Remote Similarity NPC474805
0.5636 Remote Similarity NPC45283
0.5636 Remote Similarity NPC14002
0.5625 Remote Similarity NPC269823
0.5625 Remote Similarity NPC477117
0.5614 Remote Similarity NPC245002
0.5614 Remote Similarity NPC150717
0.561 Remote Similarity NPC34671
0.5606 Remote Similarity NPC326200
0.56 Remote Similarity NPC106547
0.56 Remote Similarity NPC108195

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC323278 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
0.64 Remote Similarity NPD4220 Pre-registration
0.5918 Remote Similarity NPD6096 Approved
0.5918 Remote Similarity NPD6097 Approved
0.5882 Remote Similarity NPD5343 Approved
0.587 Remote Similarity NPD5783 Phase 3
0.5833 Remote Similarity NPD9091 Suspended
0.5833 Remote Similarity NPD9297 Discontinued

Structure

External Identifiers

PubChem CID   6428555
ChEMBL   CHEMBL3185994
ZINC  

Physicochemical Properties

Molecular Weight:  138.10
ALogP:  0.3674
MLogP:  2.34
XLogP:  3.113
# Rotatable Bonds:  6
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  10

Download Data

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