Natural Product: NPC97967

Natural Product ID:  NPC97967
Common Name:   2-Hexadecanol
IUPAC Name:   hexadecan-2-ol
Synonyms:   2-Hexadecanol
Molecular Formula:   C16H34O
Standard InCHIKey:  FVDRFBGMOWJEOR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3
Canonical SMILES:  CCCCCCCCCCCCCCC(O)C
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
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 0.78 ug/ml 8158169

  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 NPC97967 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
0.9697 High Similarity NPC474392
0.9697 High Similarity NPC474914
0.9375 High Similarity NPC181516
0.9375 High Similarity NPC205141
0.9375 High Similarity NPC72324
0.9375 High Similarity NPC66124
0.9375 High Similarity NPC291158
0.9375 High Similarity NPC272998
0.9375 High Similarity NPC1748
0.9375 High Similarity NPC185538
0.9375 High Similarity NPC319034
0.9375 High Similarity NPC193062
0.9375 High Similarity NPC139131
0.9062 High Similarity NPC122962
0.9062 High Similarity NPC267243
0.9062 High Similarity NPC126915
0.8788 High Similarity NPC12231
0.8788 High Similarity NPC152759
0.875 High Similarity NPC147096
0.875 High Similarity NPC185041
0.875 High Similarity NPC225783
0.875 High Similarity NPC112242
0.875 High Similarity NPC24506
0.875 High Similarity NPC163556
0.875 High Similarity NPC236797
0.8438 Intermediate Similarity NPC110884
0.8378 Intermediate Similarity NPC471282
0.8333 Intermediate Similarity NPC74352
0.8125 Intermediate Similarity NPC279895
0.8125 Intermediate Similarity NPC159845
0.8 Intermediate Similarity NPC139569
0.7895 Intermediate Similarity NPC221022
0.7805 Intermediate Similarity NPC215358
0.7805 Intermediate Similarity NPC469781
0.7632 Intermediate Similarity NPC197039
0.7619 Intermediate Similarity NPC473914
0.75 Intermediate Similarity NPC560
0.7442 Intermediate Similarity NPC324004
0.7442 Intermediate Similarity NPC328497
0.7381 Intermediate Similarity NPC62014
0.7368 Intermediate Similarity NPC177022
0.7273 Intermediate Similarity NPC106872
0.725 Intermediate Similarity NPC152008
0.725 Intermediate Similarity NPC160261
0.725 Intermediate Similarity NPC469759
0.7188 Intermediate Similarity NPC232554
0.7188 Intermediate Similarity NPC275462
0.7059 Intermediate Similarity NPC325345
0.7045 Intermediate Similarity NPC8597
0.7027 Intermediate Similarity NPC283682
0.7027 Intermediate Similarity NPC474120
0.7027 Intermediate Similarity NPC474089
0.6957 Remote Similarity NPC90904
0.6875 Remote Similarity NPC245688
0.6818 Remote Similarity NPC30195
0.6818 Remote Similarity NPC12438
0.6818 Remote Similarity NPC76976
0.6744 Remote Similarity NPC76051
0.6744 Remote Similarity NPC144891
0.6739 Remote Similarity NPC304162
0.6667 Remote Similarity NPC123814
0.6667 Remote Similarity NPC319709
0.6667 Remote Similarity NPC84030
0.6667 Remote Similarity NPC223468
0.6667 Remote Similarity NPC289484
0.6667 Remote Similarity NPC474322
0.6667 Remote Similarity NPC147343
0.6667 Remote Similarity NPC176309
0.6667 Remote Similarity NPC287550
0.6667 Remote Similarity NPC213764
0.6667 Remote Similarity NPC198540
0.6591 Remote Similarity NPC240994
0.6585 Remote Similarity NPC28394
0.6585 Remote Similarity NPC31557
0.6571 Remote Similarity NPC223195
0.6562 Remote Similarity NPC39977
0.6562 Remote Similarity NPC52403
0.6531 Remote Similarity NPC270041
0.6522 Remote Similarity NPC29222
0.6522 Remote Similarity NPC131770
0.6522 Remote Similarity NPC96966
0.6522 Remote Similarity NPC200618
0.6522 Remote Similarity NPC121062
0.6512 Remote Similarity NPC249801
0.6512 Remote Similarity NPC46248
0.65 Remote Similarity NPC128996
0.6486 Remote Similarity NPC272426
0.6471 Remote Similarity NPC252154
0.64 Remote Similarity NPC469937
0.64 Remote Similarity NPC23155
0.64 Remote Similarity NPC320588
0.64 Remote Similarity NPC53463
0.64 Remote Similarity NPC289979
0.6364 Remote Similarity NPC74845
0.6364 Remote Similarity NPC252978
0.6279 Remote Similarity NPC474361
0.6279 Remote Similarity NPC171736
0.6279 Remote Similarity NPC307783
0.6279 Remote Similarity NPC241279
0.6279 Remote Similarity NPC216630
0.6279 Remote Similarity NPC196924
0.6279 Remote Similarity NPC209970
0.6279 Remote Similarity NPC149184
0.625 Remote Similarity NPC61665
0.625 Remote Similarity NPC299484
0.625 Remote Similarity NPC328441
0.6222 Remote Similarity NPC287231
0.6222 Remote Similarity NPC47363
0.62 Remote Similarity NPC477724
0.62 Remote Similarity NPC474496
0.62 Remote Similarity NPC26102
0.62 Remote Similarity NPC187361
0.6176 Remote Similarity NPC88887
0.617 Remote Similarity NPC314087
0.6154 Remote Similarity NPC8979
0.6154 Remote Similarity NPC148424
0.6154 Remote Similarity NPC471443
0.6154 Remote Similarity NPC471605
0.6136 Remote Similarity NPC67462
0.6122 Remote Similarity NPC473672
0.6122 Remote Similarity NPC100096
0.6122 Remote Similarity NPC474495
0.6111 Remote Similarity NPC52362
0.6098 Remote Similarity NPC277333
0.6087 Remote Similarity NPC87439
0.6078 Remote Similarity NPC256209
0.6078 Remote Similarity NPC49059
0.6042 Remote Similarity NPC26253
0.6038 Remote Similarity NPC322148
0.6 Remote Similarity NPC196442
0.6 Remote Similarity NPC293908
0.6 Remote Similarity NPC223374
0.6 Remote Similarity NPC66052
0.6 Remote Similarity NPC192065
0.6 Remote Similarity NPC86412
0.6 Remote Similarity NPC325034
0.6 Remote Similarity NPC86545
0.6 Remote Similarity NPC301398
0.5962 Remote Similarity NPC477725
0.5962 Remote Similarity NPC477726
0.5938 Remote Similarity NPC294703
0.5897 Remote Similarity NPC147054
0.5882 Remote Similarity NPC161473
0.5882 Remote Similarity NPC199270
0.587 Remote Similarity NPC8219
0.5849 Remote Similarity NPC470967
0.5849 Remote Similarity NPC477661
0.5849 Remote Similarity NPC161838
0.5849 Remote Similarity NPC470969
0.5849 Remote Similarity NPC470966
0.5849 Remote Similarity NPC475384
0.5849 Remote Similarity NPC473847
0.5849 Remote Similarity NPC470968
0.5849 Remote Similarity NPC471960
0.5833 Remote Similarity NPC39869
0.5833 Remote Similarity NPC276332
0.5818 Remote Similarity NPC122239
0.5818 Remote Similarity NPC174485
0.5818 Remote Similarity NPC319131
0.5818 Remote Similarity NPC470363
0.5814 Remote Similarity NPC113928
0.5814 Remote Similarity NPC301585
0.5814 Remote Similarity NPC301696
0.5814 Remote Similarity NPC261080
0.5814 Remote Similarity NPC201844
0.5814 Remote Similarity NPC154186
0.5814 Remote Similarity NPC14227
0.5814 Remote Similarity NPC279026
0.58 Remote Similarity NPC307022
0.5778 Remote Similarity NPC301528
0.5778 Remote Similarity NPC71317
0.5778 Remote Similarity NPC203531
0.5778 Remote Similarity NPC474126
0.5778 Remote Similarity NPC236579
0.5778 Remote Similarity NPC129972
0.5778 Remote Similarity NPC474125
0.5769 Remote Similarity NPC471442
0.5769 Remote Similarity NPC53209
0.5769 Remote Similarity NPC471423
0.575 Remote Similarity NPC286498
0.5741 Remote Similarity NPC52012
0.5741 Remote Similarity NPC470970
0.5741 Remote Similarity NPC474577
0.5741 Remote Similarity NPC135438
0.5714 Remote Similarity NPC243532
0.5714 Remote Similarity NPC477763
0.5714 Remote Similarity NPC477757
0.5714 Remote Similarity NPC477750
0.5714 Remote Similarity NPC140389
0.5714 Remote Similarity NPC477755
0.5714 Remote Similarity NPC477762
0.5714 Remote Similarity NPC477753
0.5714 Remote Similarity NPC190797
0.5682 Remote Similarity NPC161097
0.5682 Remote Similarity NPC28598
0.566 Remote Similarity NPC178223
0.566 Remote Similarity NPC277917
0.566 Remote Similarity NPC89069
0.566 Remote Similarity NPC84824
0.566 Remote Similarity NPC473721

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC97967 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
0.9375 High Similarity NPD5383 Approved
0.9375 High Similarity NPD2272 Approved
0.725 Intermediate Similarity NPD7536 Approved
0.7059 Intermediate Similarity NPD8988 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3214 Discontinued
0.6667 Remote Similarity NPD3215 Phase 1
0.6667 Remote Similarity NPD384 Approved
0.6667 Remote Similarity NPD385 Approved
0.6667 Remote Similarity NPD3211 Approved
0.6486 Remote Similarity NPD907 Approved
0.6486 Remote Similarity NPD908 Approved
0.6486 Remote Similarity NPD1461 Approved
0.64 Remote Similarity NPD3729 Clinical (unspecified phase)
0.64 Remote Similarity NPD3728 Approved
0.64 Remote Similarity NPD3730 Approved
0.6279 Remote Similarity NPD2270 Approved
0.6222 Remote Similarity NPD2699 Approved
0.619 Remote Similarity NPD5799 Discontinued
0.6136 Remote Similarity NPD1462 Approved
0.6047 Remote Similarity NPD1460 Approved
0.6 Remote Similarity NPD9052 Approved
0.6 Remote Similarity NPD9053 Approved
0.6 Remote Similarity NPD9051 Approved
0.587 Remote Similarity NPD3199 Clinical (unspecified phase)
0.5818 Remote Similarity NPD3198 Approved
0.5814 Remote Similarity NPD633 Phase 3
0.5814 Remote Similarity NPD9448 Phase 2
0.5745 Remote Similarity NPD1152 Phase 2
0.5641 Remote Similarity NPD8814 Phase 3
0.5625 Remote Similarity NPD8224 Approved

Structure

External Identifiers

PubChem CID   85779
ChEMBL   CHEMBL446956
ZINC  

Physicochemical Properties

Molecular Weight:  242.26
ALogP:  -4.1521
MLogP:  3.11
XLogP:  7.57
# Rotatable Bonds:  16
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  17

Download Data

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