Natural Product: NPC34873

Natural Product ID:  NPC34873
Common Name:   (Z)-Oct-5-En-1-Ol
IUPAC Name:   (Z)-oct-5-en-1-ol
Synonyms:  
Molecular Formula:   C8H16O
Standard InCHIKey:  VDHRTASWKDTLER-ARJAWSKDSA-N
Standard InCHI:  InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-
Canonical SMILES:  OCCCC/C=CCC
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
NPO2179 Paeoniae radix alba NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 2433.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 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 NPC34873 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
1.0 High Similarity NPC40434
0.875 High Similarity NPC252978
0.8333 Intermediate Similarity NPC76976
0.8205 Intermediate Similarity NPC15934
0.8095 Intermediate Similarity NPC108195
0.8056 Intermediate Similarity NPC197356
0.8056 Intermediate Similarity NPC63121
0.7907 Intermediate Similarity NPC165651
0.7907 Intermediate Similarity NPC276825
0.7907 Intermediate Similarity NPC24824
0.7907 Intermediate Similarity NPC210560
0.7907 Intermediate Similarity NPC140501
0.7805 Intermediate Similarity NPC469713
0.775 Intermediate Similarity NPC103213
0.775 Intermediate Similarity NPC29091
0.775 Intermediate Similarity NPC182840
0.775 Intermediate Similarity NPC255042
0.7632 Intermediate Similarity NPC58957
0.7619 Intermediate Similarity NPC304151
0.7619 Intermediate Similarity NPC206906
0.7619 Intermediate Similarity NPC249801
0.7619 Intermediate Similarity NPC46248
0.7561 Intermediate Similarity NPC329762
0.7561 Intermediate Similarity NPC27444
0.7561 Intermediate Similarity NPC103236
0.7442 Intermediate Similarity NPC269862
0.7442 Intermediate Similarity NPC116934
0.7436 Intermediate Similarity NPC79544
0.7391 Intermediate Similarity NPC62755
0.7391 Intermediate Similarity NPC302310
0.7381 Intermediate Similarity NPC269823
0.7368 Intermediate Similarity NPC250734
0.7317 Intermediate Similarity NPC171978
0.7317 Intermediate Similarity NPC277382
0.7273 Intermediate Similarity NPC138935
0.7234 Intermediate Similarity NPC474460
0.7234 Intermediate Similarity NPC291437
0.7234 Intermediate Similarity NPC328784
0.7209 Intermediate Similarity NPC68889
0.7209 Intermediate Similarity NPC108494
0.7209 Intermediate Similarity NPC209279
0.7209 Intermediate Similarity NPC67761
0.7209 Intermediate Similarity NPC213538
0.7209 Intermediate Similarity NPC194586
0.7209 Intermediate Similarity NPC149668
0.7209 Intermediate Similarity NPC180871
0.7209 Intermediate Similarity NPC88079
0.7209 Intermediate Similarity NPC256766
0.7209 Intermediate Similarity NPC51758
0.7111 Intermediate Similarity NPC160628
0.7111 Intermediate Similarity NPC269074
0.7111 Intermediate Similarity NPC117572
0.7083 Intermediate Similarity NPC129263
0.7083 Intermediate Similarity NPC473672
0.7083 Intermediate Similarity NPC474495
0.7083 Intermediate Similarity NPC151782
0.7083 Intermediate Similarity NPC71053
0.7083 Intermediate Similarity NPC59408
0.7021 Intermediate Similarity NPC153538
0.7 Intermediate Similarity NPC213767
0.7 Intermediate Similarity NPC256209
0.7 Intermediate Similarity NPC110732
0.7 Intermediate Similarity NPC49059
0.6977 Remote Similarity NPC188596
0.6957 Remote Similarity NPC55063
0.6957 Remote Similarity NPC180575
0.6957 Remote Similarity NPC157096
0.6957 Remote Similarity NPC19834
0.6939 Remote Similarity NPC35756
0.6923 Remote Similarity NPC81989
0.6889 Remote Similarity NPC101616
0.6875 Remote Similarity NPC225974
0.6875 Remote Similarity NPC20934
0.6875 Remote Similarity NPC288381
0.6875 Remote Similarity NPC72699
0.6863 Remote Similarity NPC317899
0.6863 Remote Similarity NPC242930
0.6863 Remote Similarity NPC227135
0.6829 Remote Similarity NPC216416
0.6809 Remote Similarity NPC91495
0.68 Remote Similarity NPC284224
0.68 Remote Similarity NPC217188
0.68 Remote Similarity NPC26102
0.68 Remote Similarity NPC477724
0.68 Remote Similarity NPC187361
0.68 Remote Similarity NPC474496
0.68 Remote Similarity NPC34577
0.6744 Remote Similarity NPC56917
0.6735 Remote Similarity NPC93639
0.6735 Remote Similarity NPC29234
0.6731 Remote Similarity NPC324224
0.6731 Remote Similarity NPC472808
0.6667 Remote Similarity NPC300121
0.6667 Remote Similarity NPC473532
0.6667 Remote Similarity NPC85079
0.6667 Remote Similarity NPC248884
0.6667 Remote Similarity NPC270796
0.6667 Remote Similarity NPC31194
0.6667 Remote Similarity NPC267110
0.6667 Remote Similarity NPC149821
0.6667 Remote Similarity NPC137538
0.6667 Remote Similarity NPC5413
0.6604 Remote Similarity NPC323436
0.6596 Remote Similarity NPC35141
0.6596 Remote Similarity NPC42304
0.6596 Remote Similarity NPC124183
0.6591 Remote Similarity NPC33489
0.6579 Remote Similarity NPC28077
0.6538 Remote Similarity NPC232247
0.6538 Remote Similarity NPC281590
0.6538 Remote Similarity NPC473896
0.6538 Remote Similarity NPC473735
0.6538 Remote Similarity NPC473721
0.6538 Remote Similarity NPC473910
0.6538 Remote Similarity NPC148216
0.6538 Remote Similarity NPC473725
0.6538 Remote Similarity NPC251666
0.6538 Remote Similarity NPC477725
0.6538 Remote Similarity NPC130209
0.6538 Remote Similarity NPC477726
0.6538 Remote Similarity NPC475353
0.6538 Remote Similarity NPC148163
0.6538 Remote Similarity NPC52264
0.6531 Remote Similarity NPC473768
0.6531 Remote Similarity NPC59051
0.6531 Remote Similarity NPC473913
0.6531 Remote Similarity NPC474642
0.6531 Remote Similarity NPC249670
0.6512 Remote Similarity NPC33761
0.6486 Remote Similarity NPC138325
0.6481 Remote Similarity NPC10017
0.6481 Remote Similarity NPC321030
0.6458 Remote Similarity NPC207292
0.6444 Remote Similarity NPC287397
0.6444 Remote Similarity NPC67920
0.6444 Remote Similarity NPC298710
0.6444 Remote Similarity NPC208936
0.6429 Remote Similarity NPC279300
0.6429 Remote Similarity NPC195109
0.6429 Remote Similarity NPC174396
0.6415 Remote Similarity NPC470966
0.6415 Remote Similarity NPC470967
0.6415 Remote Similarity NPC475384
0.6415 Remote Similarity NPC471960
0.6415 Remote Similarity NPC477661
0.6415 Remote Similarity NPC48891
0.6415 Remote Similarity NPC473847
0.6415 Remote Similarity NPC327388
0.6415 Remote Similarity NPC470968
0.6415 Remote Similarity NPC470969
0.6415 Remote Similarity NPC161838
0.64 Remote Similarity NPC200772
0.64 Remote Similarity NPC48162
0.64 Remote Similarity NPC261571
0.64 Remote Similarity NPC28205
0.64 Remote Similarity NPC244038
0.6383 Remote Similarity NPC87439
0.6364 Remote Similarity NPC326524
0.6364 Remote Similarity NPC323278
0.6364 Remote Similarity NPC12319
0.6364 Remote Similarity NPC322002
0.6364 Remote Similarity NPC329003
0.6364 Remote Similarity NPC325550
0.6364 Remote Similarity NPC318306
0.6364 Remote Similarity NPC18205
0.6327 Remote Similarity NPC471275
0.6327 Remote Similarity NPC125122
0.6327 Remote Similarity NPC471276
0.6327 Remote Similarity NPC207815
0.6327 Remote Similarity NPC471280
0.6327 Remote Similarity NPC98284
0.6316 Remote Similarity NPC138113
0.6316 Remote Similarity NPC34671
0.6304 Remote Similarity NPC15162
0.6296 Remote Similarity NPC472445
0.6296 Remote Similarity NPC71755
0.6296 Remote Similarity NPC470970
0.6296 Remote Similarity NPC323498
0.6296 Remote Similarity NPC323597
0.6296 Remote Similarity NPC52012
0.6296 Remote Similarity NPC211752
0.6296 Remote Similarity NPC268185
0.6279 Remote Similarity NPC155880
0.6279 Remote Similarity NPC92863
0.6275 Remote Similarity NPC92114
0.6275 Remote Similarity NPC281245
0.6275 Remote Similarity NPC188341
0.6275 Remote Similarity NPC142092
0.6275 Remote Similarity NPC49494
0.625 Remote Similarity NPC258788
0.625 Remote Similarity NPC81896
0.625 Remote Similarity NPC327112
0.625 Remote Similarity NPC321919
0.625 Remote Similarity NPC243532
0.6226 Remote Similarity NPC298299
0.6226 Remote Similarity NPC329686
0.62 Remote Similarity NPC26960
0.62 Remote Similarity NPC329773
0.62 Remote Similarity NPC199286
0.62 Remote Similarity NPC473487

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC34873 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
0.7907 Intermediate Similarity NPD4265 Approved
0.7111 Intermediate Similarity NPD4222 Approved
0.6739 Remote Similarity NPD39 Approved
0.6667 Remote Similarity NPD5326 Phase 3
0.6667 Remote Similarity NPD3173 Approved
0.6538 Remote Similarity NPD342 Phase 1
0.6458 Remote Similarity NPD5343 Approved
0.625 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6182 Remote Similarity NPD6109 Phase 1
0.6182 Remote Similarity NPD585 Clinical (unspecified phase)
0.617 Remote Similarity NPD6097 Approved
0.617 Remote Similarity NPD6096 Approved
0.6154 Remote Similarity NPD3172 Approved
0.6042 Remote Similarity NPD3174 Discontinued
0.6038 Remote Similarity NPD3196 Approved
0.6038 Remote Similarity NPD4266 Approved
0.6038 Remote Similarity NPD3195 Phase 2
0.6038 Remote Similarity NPD3194 Approved
0.5932 Remote Similarity NPD3197 Phase 1
0.5862 Remote Similarity NPD368 Approved
0.5818 Remote Similarity NPD4219 Approved
0.5778 Remote Similarity NPD5783 Phase 3
0.5763 Remote Similarity NPD3210 Clinical (unspecified phase)
0.5686 Remote Similarity NPD4220 Pre-registration
0.5645 Remote Similarity NPD4247 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5352837
ChEMBL   CHEMBL3184730
ZINC  

Physicochemical Properties

Molecular Weight:  128.12
ALogP:  -0.538
MLogP:  2.23
XLogP:  2.611
# Rotatable Bonds:  7
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  9

Download Data

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