Natural Product: NPC238135

Natural Product ID:  NPC238135
Common Name:   2-(2-Butoxyethoxy)Ethanol
IUPAC Name:   2-(2-butoxyethoxy)ethanol
Synonyms:  
Molecular Formula:   C8H18O3
Standard InCHIKey:  OAYXUHPQHDHDDZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
Canonical SMILES:  CCCCOCCOCCO
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
NPO29589 Linderae radix NA NA NA TCMSP*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*

  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 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6190.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 19577.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30762.5 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 2452.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48942.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61068.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21667.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61614.6 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 61908.9 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 NPC238135 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
0.9231 High Similarity NPC128335
0.8846 High Similarity NPC304786
0.8519 High Similarity NPC329496
0.8519 High Similarity NPC230452
0.8519 High Similarity NPC317724
0.8462 Intermediate Similarity NPC318912
0.8462 Intermediate Similarity NPC237965
0.8214 Intermediate Similarity NPC272307
0.7429 Intermediate Similarity NPC197039
0.7308 Intermediate Similarity NPC61373
0.7027 Intermediate Similarity NPC152008
0.6944 Remote Similarity NPC473991
0.6923 Remote Similarity NPC43196
0.6897 Remote Similarity NPC140389
0.6765 Remote Similarity NPC227267
0.6667 Remote Similarity NPC294703
0.6552 Remote Similarity NPC114270
0.6452 Remote Similarity NPC320326
0.6429 Remote Similarity NPC219266
0.6389 Remote Similarity NPC313405
0.6389 Remote Similarity NPC24967
0.6389 Remote Similarity NPC103612
0.6333 Remote Similarity NPC88887
0.6286 Remote Similarity NPC140229
0.625 Remote Similarity NPC301586
0.625 Remote Similarity NPC33415
0.6207 Remote Similarity NPC52403
0.6154 Remote Similarity NPC149567
0.6111 Remote Similarity NPC325165
0.6071 Remote Similarity NPC321400
0.6047 Remote Similarity NPC8597
0.6 Remote Similarity NPC23071
0.6 Remote Similarity NPC157340
0.6 Remote Similarity NPC87529
0.6 Remote Similarity NPC94144
0.6 Remote Similarity NPC256186
0.6 Remote Similarity NPC199270
0.6 Remote Similarity NPC245688
0.5952 Remote Similarity NPC62014
0.5926 Remote Similarity NPC311000
0.5882 Remote Similarity NPC236797
0.5882 Remote Similarity NPC112242
0.5882 Remote Similarity NPC225783
0.5882 Remote Similarity NPC185041
0.5882 Remote Similarity NPC24506
0.5882 Remote Similarity NPC163556
0.5882 Remote Similarity NPC147096
0.5862 Remote Similarity NPC110344
0.5862 Remote Similarity NPC88839
0.5862 Remote Similarity NPC299484
0.5854 Remote Similarity NPC144829
0.5854 Remote Similarity NPC31121
0.5806 Remote Similarity NPC232554
0.5806 Remote Similarity NPC213764
0.5806 Remote Similarity NPC275462
0.5806 Remote Similarity NPC3693
0.5778 Remote Similarity NPC26253
0.5778 Remote Similarity NPC82512
0.5758 Remote Similarity NPC159845
0.5758 Remote Similarity NPC279895
0.5758 Remote Similarity NPC88135
0.5758 Remote Similarity NPC223195
0.575 Remote Similarity NPC266553
0.5714 Remote Similarity NPC236761
0.5714 Remote Similarity NPC327092
0.5714 Remote Similarity NPC197207
0.5714 Remote Similarity NPC163707
0.5714 Remote Similarity NPC182541
0.5714 Remote Similarity NPC149070
0.5714 Remote Similarity NPC127074
0.5714 Remote Similarity NPC281883
0.5714 Remote Similarity NPC122962
0.5714 Remote Similarity NPC126915
0.5714 Remote Similarity NPC12904
0.5714 Remote Similarity NPC40965
0.5714 Remote Similarity NPC187058
0.5667 Remote Similarity NPC39977
0.5625 Remote Similarity NPC166804
0.5625 Remote Similarity NPC560

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC238135 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
0.7027 Intermediate Similarity NPD7536 Approved
0.6552 Remote Similarity NPD8225 Phase 3
0.625 Remote Similarity NPD8549 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7374 Approved
0.6 Remote Similarity NPD8226 Approved
0.5926 Remote Similarity NPD8223 Approved
0.5882 Remote Similarity NPD901 Approved
0.5769 Remote Similarity NPD8547 Phase 2
0.5714 Remote Similarity NPD8814 Phase 3
0.5714 Remote Similarity NPD8224 Approved
0.5714 Remote Similarity NPD9636 Phase 2
0.561 Remote Similarity NPD8967 Approved

Structure

External Identifiers

PubChem CID   8177
ChEMBL   CHEMBL1904721
ZINC  

Physicochemical Properties

Molecular Weight:  162.13
ALogP:  -1.2352
MLogP:  2.01
XLogP:  0.471
# Rotatable Bonds:  10
Polar Surface Area:  38.69
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  11

Download Data

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