Natural Product: NPC267243

Natural Product ID:  NPC267243
Common Name:   Cyclododecanol
IUPAC Name:   cyclododecanol
Synonyms:  
Molecular Formula:   C12H24O
Standard InCHIKey:  SFVWPXMPRCIVOK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2
Canonical SMILES:  OC1CCCCCCCCCCC1
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
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMSP*
NPO29560 Carthami flos NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 77615.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 69217.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54981.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 68589.6 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 62256.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7766.4 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 43646.5 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 55485.9 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 55485.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22089.3 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 NPC267243 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
0.9667 High Similarity NPC66124
0.9667 High Similarity NPC72324
0.9667 High Similarity NPC319034
0.9667 High Similarity NPC193062
0.9667 High Similarity NPC1748
0.9333 High Similarity NPC122962
0.9062 High Similarity NPC97967
0.9 High Similarity NPC236797
0.9 High Similarity NPC163556
0.9 High Similarity NPC147096
0.9 High Similarity NPC112242
0.9 High Similarity NPC24506
0.9 High Similarity NPC225783
0.9 High Similarity NPC185041
0.8788 High Similarity NPC474392
0.8788 High Similarity NPC474914
0.871 High Similarity NPC126915
0.8667 High Similarity NPC110884
0.8438 Intermediate Similarity NPC272998
0.8438 Intermediate Similarity NPC139131
0.8438 Intermediate Similarity NPC152759
0.8438 Intermediate Similarity NPC181516
0.8438 Intermediate Similarity NPC185538
0.8438 Intermediate Similarity NPC291158
0.8438 Intermediate Similarity NPC205141
0.8438 Intermediate Similarity NPC12231
0.8333 Intermediate Similarity NPC279895
0.8333 Intermediate Similarity NPC159845
0.8056 Intermediate Similarity NPC471282
0.7742 Intermediate Similarity NPC325345
0.7667 Intermediate Similarity NPC560
0.75 Intermediate Similarity NPC74352
0.75 Intermediate Similarity NPC177022
0.7333 Intermediate Similarity NPC232554
0.7333 Intermediate Similarity NPC213764
0.7333 Intermediate Similarity NPC275462
0.7143 Intermediate Similarity NPC283682
0.7143 Intermediate Similarity NPC139569
0.7105 Intermediate Similarity NPC221022
0.7097 Intermediate Similarity NPC252154
0.7073 Intermediate Similarity NPC240994
0.7073 Intermediate Similarity NPC469781
0.7073 Intermediate Similarity NPC215358
0.7073 Intermediate Similarity NPC62014
0.7 Intermediate Similarity NPC245688
0.6923 Remote Similarity NPC160261
0.6923 Remote Similarity NPC469759
0.6905 Remote Similarity NPC473914
0.6842 Remote Similarity NPC197039
0.6829 Remote Similarity NPC76051
0.6829 Remote Similarity NPC144891
0.6744 Remote Similarity NPC147343
0.6744 Remote Similarity NPC8597
0.6744 Remote Similarity NPC176309
0.6744 Remote Similarity NPC84030
0.6744 Remote Similarity NPC198540
0.6744 Remote Similarity NPC328497
0.6744 Remote Similarity NPC324004
0.6744 Remote Similarity NPC287550
0.6744 Remote Similarity NPC223468
0.6667 Remote Similarity NPC52403
0.6667 Remote Similarity NPC39977
0.6667 Remote Similarity NPC223195
0.6591 Remote Similarity NPC96966
0.6591 Remote Similarity NPC131770
0.6591 Remote Similarity NPC314087
0.6591 Remote Similarity NPC121062
0.6591 Remote Similarity NPC200618
0.6591 Remote Similarity NPC106872
0.6591 Remote Similarity NPC29222
0.6585 Remote Similarity NPC249801
0.6585 Remote Similarity NPC46248
0.6571 Remote Similarity NPC272426
0.65 Remote Similarity NPC152008
0.6486 Remote Similarity NPC66052
0.6486 Remote Similarity NPC293908
0.6486 Remote Similarity NPC325034
0.6486 Remote Similarity NPC192065
0.6486 Remote Similarity NPC86412
0.6452 Remote Similarity NPC199270
0.6444 Remote Similarity NPC304162
0.6429 Remote Similarity NPC252978
0.6341 Remote Similarity NPC474361
0.6333 Remote Similarity NPC299484
0.6316 Remote Similarity NPC61665
0.6316 Remote Similarity NPC328441
0.6304 Remote Similarity NPC90904
0.625 Remote Similarity NPC88887
0.6216 Remote Similarity NPC474120
0.6216 Remote Similarity NPC474089
0.6176 Remote Similarity NPC52362
0.617 Remote Similarity NPC100096
0.617 Remote Similarity NPC307022
0.6154 Remote Similarity NPC277333
0.6136 Remote Similarity NPC12438
0.6136 Remote Similarity NPC87439
0.6136 Remote Similarity NPC30195
0.6136 Remote Similarity NPC76976
0.6111 Remote Similarity NPC127074
0.6111 Remote Similarity NPC149070
0.6111 Remote Similarity NPC187058
0.6111 Remote Similarity NPC182541
0.6111 Remote Similarity NPC197207
0.6053 Remote Similarity NPC301398
0.6053 Remote Similarity NPC86545
0.6053 Remote Similarity NPC196442
0.6053 Remote Similarity NPC223374
0.6042 Remote Similarity NPC474322
0.6042 Remote Similarity NPC123814
0.6 Remote Similarity NPC319709
0.6 Remote Similarity NPC289484
0.6 Remote Similarity NPC294703
0.5946 Remote Similarity NPC147054
0.5918 Remote Similarity NPC477724
0.5918 Remote Similarity NPC270041
0.5918 Remote Similarity NPC161473
0.5918 Remote Similarity NPC187361
0.5918 Remote Similarity NPC26102
0.5882 Remote Similarity NPC276332
0.5882 Remote Similarity NPC39869
0.5882 Remote Similarity NPC320326
0.5854 Remote Similarity NPC301585
0.5854 Remote Similarity NPC279026
0.5854 Remote Similarity NPC154186
0.5854 Remote Similarity NPC201844
0.5854 Remote Similarity NPC183424
0.5854 Remote Similarity NPC14227
0.5854 Remote Similarity NPC214610
0.5854 Remote Similarity NPC113928
0.5854 Remote Similarity NPC28394
0.5854 Remote Similarity NPC118968
0.5854 Remote Similarity NPC301696
0.5854 Remote Similarity NPC294085
0.5854 Remote Similarity NPC261080
0.5854 Remote Similarity NPC31557
0.5806 Remote Similarity NPC219266
0.58 Remote Similarity NPC23155
0.58 Remote Similarity NPC256209
0.58 Remote Similarity NPC289979
0.58 Remote Similarity NPC53209
0.58 Remote Similarity NPC53463
0.58 Remote Similarity NPC471423
0.58 Remote Similarity NPC471442
0.58 Remote Similarity NPC469937
0.58 Remote Similarity NPC49059
0.58 Remote Similarity NPC320588
0.58 Remote Similarity NPC327257
0.5789 Remote Similarity NPC227267
0.5789 Remote Similarity NPC286498
0.5758 Remote Similarity NPC190797
0.5758 Remote Similarity NPC140389
0.575 Remote Similarity NPC128996
0.5714 Remote Similarity NPC301586
0.5714 Remote Similarity NPC88278
0.5714 Remote Similarity NPC266553
0.5714 Remote Similarity NPC99573
0.5714 Remote Similarity NPC227707
0.5714 Remote Similarity NPC33415
0.5714 Remote Similarity NPC111882
0.5714 Remote Similarity NPC102981
0.5686 Remote Similarity NPC277917
0.5686 Remote Similarity NPC89069
0.5686 Remote Similarity NPC166894
0.5686 Remote Similarity NPC477726
0.5686 Remote Similarity NPC178223
0.5686 Remote Similarity NPC471269
0.5686 Remote Similarity NPC67508
0.5686 Remote Similarity NPC84824
0.5686 Remote Similarity NPC477725
0.5686 Remote Similarity NPC283655
0.5682 Remote Similarity NPC74845
0.5667 Remote Similarity NPC163707
0.5641 Remote Similarity NPC317203
0.561 Remote Similarity NPC469712
0.561 Remote Similarity NPC473568
0.561 Remote Similarity NPC268826
0.561 Remote Similarity NPC469714
0.56 Remote Similarity NPC474496

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC267243 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
0.8438 Intermediate Similarity NPD2272 Approved
0.8438 Intermediate Similarity NPD5383 Approved
0.7742 Intermediate Similarity NPD8988 Clinical (unspecified phase)
0.6744 Remote Similarity NPD384 Approved
0.6744 Remote Similarity NPD385 Approved
0.6571 Remote Similarity NPD1461 Approved
0.6571 Remote Similarity NPD908 Approved
0.6571 Remote Similarity NPD907 Approved
0.65 Remote Similarity NPD7536 Approved
0.6486 Remote Similarity NPD9051 Approved
0.6486 Remote Similarity NPD9053 Approved
0.6486 Remote Similarity NPD9052 Approved
0.6304 Remote Similarity NPD3214 Discontinued
0.619 Remote Similarity NPD1462 Approved
0.6136 Remote Similarity NPD1152 Phase 2
0.6111 Remote Similarity NPD8814 Phase 3
0.6098 Remote Similarity NPD1460 Approved
0.6042 Remote Similarity NPD3215 Phase 1
0.6 Remote Similarity NPD3211 Approved
0.5854 Remote Similarity NPD9655 Approved
0.5854 Remote Similarity NPD633 Phase 3
0.5854 Remote Similarity NPD9448 Phase 2
0.58 Remote Similarity NPD3728 Approved
0.58 Remote Similarity NPD3730 Approved
0.58 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5714 Remote Similarity NPD8995 Clinical (unspecified phase)
0.5714 Remote Similarity NPD8996 Phase 3
0.5714 Remote Similarity NPD8549 Clinical (unspecified phase)
0.5667 Remote Similarity NPD8224 Approved
0.561 Remote Similarity NPD8977 Phase 3
0.561 Remote Similarity NPD8976 Approved

Structure

External Identifiers

PubChem CID   15595
ChEMBL   CHEMBL1872732
ZINC  

Physicochemical Properties

Molecular Weight:  184.18
ALogP:  -3.6787
MLogP:  2.67
XLogP:  4.743
# Rotatable Bonds:  1
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  13

Download Data

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