Natural Product: NPC327815

Natural Product ID:  NPC327815
Common Name:   2,6,6,10-Tetramethyl-1-Oxaspiro[4.5]Dec-9-Ene
IUPAC Name:   2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
Synonyms:  
Molecular Formula:   C13H22O
Standard InCHIKey:  GYUZHTWCNKINPY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
Canonical SMILES:  CC1CCC2(O1)C(=CCCC2(C)C)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
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 218.7 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 173.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10870.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13685.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15355.3 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 NPC327815 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
0.8636 High Similarity NPC474477
0.8235 Intermediate Similarity NPC476945
0.7838 Intermediate Similarity NPC470751
0.7838 Intermediate Similarity NPC470750
0.7792 Intermediate Similarity NPC155521
0.76 Intermediate Similarity NPC477426
0.76 Intermediate Similarity NPC477427
0.76 Intermediate Similarity NPC477425
0.76 Intermediate Similarity NPC474826
0.7576 Intermediate Similarity NPC143810
0.7576 Intermediate Similarity NPC83838
0.7534 Intermediate Similarity NPC259049
0.7532 Intermediate Similarity NPC206062
0.75 Intermediate Similarity NPC184737
0.7463 Intermediate Similarity NPC135648
0.7407 Intermediate Similarity NPC323209
0.7403 Intermediate Similarity NPC17550
0.7403 Intermediate Similarity NPC233295
0.7403 Intermediate Similarity NPC242767
0.7391 Intermediate Similarity NPC287744
0.7391 Intermediate Similarity NPC140233
0.7375 Intermediate Similarity NPC470077
0.7375 Intermediate Similarity NPC96055
0.7361 Intermediate Similarity NPC474248
0.7342 Intermediate Similarity NPC122945
0.7342 Intermediate Similarity NPC470049
0.7342 Intermediate Similarity NPC109938
0.7324 Intermediate Similarity NPC114651
0.7317 Intermediate Similarity NPC166857
0.7317 Intermediate Similarity NPC476948
0.7308 Intermediate Similarity NPC195424
0.7308 Intermediate Similarity NPC233332
0.7308 Intermediate Similarity NPC474592
0.7284 Intermediate Similarity NPC119001
0.7284 Intermediate Similarity NPC274448
0.7284 Intermediate Similarity NPC157257
0.726 Intermediate Similarity NPC34834
0.725 Intermediate Similarity NPC12283
0.725 Intermediate Similarity NPC193198
0.725 Intermediate Similarity NPC474193
0.725 Intermediate Similarity NPC472377
0.7246 Intermediate Similarity NPC81615
0.7229 Intermediate Similarity NPC477128
0.7222 Intermediate Similarity NPC96484
0.7215 Intermediate Similarity NPC474683
0.7215 Intermediate Similarity NPC474759
0.7215 Intermediate Similarity NPC474731
0.7215 Intermediate Similarity NPC25554
0.7215 Intermediate Similarity NPC7505
0.7215 Intermediate Similarity NPC474752
0.7215 Intermediate Similarity NPC82986
0.7206 Intermediate Similarity NPC127824
0.7195 Intermediate Similarity NPC470051
0.7195 Intermediate Similarity NPC470050
0.7188 Intermediate Similarity NPC165755
0.7183 Intermediate Similarity NPC202017
0.7176 Intermediate Similarity NPC49420
0.7162 Intermediate Similarity NPC471272
0.7162 Intermediate Similarity NPC477792
0.7162 Intermediate Similarity NPC23954
0.7162 Intermediate Similarity NPC164022
0.716 Intermediate Similarity NPC46320
0.716 Intermediate Similarity NPC83702
0.7143 Intermediate Similarity NPC323424
0.7143 Intermediate Similarity NPC283619
0.7143 Intermediate Similarity NPC470819
0.7143 Intermediate Similarity NPC189206
0.7143 Intermediate Similarity NPC96793
0.7143 Intermediate Similarity NPC471454
0.7143 Intermediate Similarity NPC107540
0.7143 Intermediate Similarity NPC290367
0.7143 Intermediate Similarity NPC225415
0.7125 Intermediate Similarity NPC178676
0.7125 Intermediate Similarity NPC259858
0.7125 Intermediate Similarity NPC471218
0.7125 Intermediate Similarity NPC471408
0.7125 Intermediate Similarity NPC304285
0.7123 Intermediate Similarity NPC471560
0.7123 Intermediate Similarity NPC473893
0.7121 Intermediate Similarity NPC48891
0.7108 Intermediate Similarity NPC149224
0.7105 Intermediate Similarity NPC133580
0.7101 Intermediate Similarity NPC475251
0.7089 Intermediate Similarity NPC268827
0.7089 Intermediate Similarity NPC469802
0.7083 Intermediate Similarity NPC171225
0.7073 Intermediate Similarity NPC474013
0.7073 Intermediate Similarity NPC476678
0.7073 Intermediate Similarity NPC266511
0.7073 Intermediate Similarity NPC52628
0.7073 Intermediate Similarity NPC472442
0.7067 Intermediate Similarity NPC16349
0.7067 Intermediate Similarity NPC265485
0.7067 Intermediate Similarity NPC220939
0.7067 Intermediate Similarity NPC222244
0.7059 Intermediate Similarity NPC77796
0.7059 Intermediate Similarity NPC92885
0.7059 Intermediate Similarity NPC476226
0.7059 Intermediate Similarity NPC470817
0.7051 Intermediate Similarity NPC35574
0.7051 Intermediate Similarity NPC474005
0.7037 Intermediate Similarity NPC22611
0.7037 Intermediate Similarity NPC474809
0.7037 Intermediate Similarity NPC470047
0.7037 Intermediate Similarity NPC311070
0.7037 Intermediate Similarity NPC23748
0.7037 Intermediate Similarity NPC470558
0.7037 Intermediate Similarity NPC49208
0.7037 Intermediate Similarity NPC470046
0.7027 Intermediate Similarity NPC129630
0.7027 Intermediate Similarity NPC92801
0.7024 Intermediate Similarity NPC215831
0.7024 Intermediate Similarity NPC93411
0.7024 Intermediate Similarity NPC226863
0.7024 Intermediate Similarity NPC106332
0.7013 Intermediate Similarity NPC265588
0.7013 Intermediate Similarity NPC244488
0.7013 Intermediate Similarity NPC476317
0.7013 Intermediate Similarity NPC247325
0.7011 Intermediate Similarity NPC144202
0.7 Intermediate Similarity NPC283247
0.7 Intermediate Similarity NPC475944
0.7 Intermediate Similarity NPC174956
0.7 Intermediate Similarity NPC475665
0.6988 Remote Similarity NPC471219
0.6988 Remote Similarity NPC329692
0.6988 Remote Similarity NPC131813
0.6988 Remote Similarity NPC286153
0.6988 Remote Similarity NPC255143
0.6986 Remote Similarity NPC139785
0.6986 Remote Similarity NPC471238
0.6986 Remote Similarity NPC208999
0.6977 Remote Similarity NPC177641
0.6974 Remote Similarity NPC201048
0.6974 Remote Similarity NPC309178
0.6974 Remote Similarity NPC476366
0.697 Remote Similarity NPC223604
0.6957 Remote Similarity NPC19241
0.6957 Remote Similarity NPC66020
0.6951 Remote Similarity NPC474047
0.6944 Remote Similarity NPC279434
0.6944 Remote Similarity NPC267027
0.6944 Remote Similarity NPC116013
0.6941 Remote Similarity NPC293044
0.6941 Remote Similarity NPC174765
0.6941 Remote Similarity NPC73995
0.6933 Remote Similarity NPC471268
0.6933 Remote Similarity NPC167706
0.6933 Remote Similarity NPC471271
0.6932 Remote Similarity NPC316215
0.6923 Remote Similarity NPC470758
0.6923 Remote Similarity NPC470711
0.6923 Remote Similarity NPC54996
0.6923 Remote Similarity NPC187568
0.6923 Remote Similarity NPC91594
0.6923 Remote Similarity NPC41780
0.6923 Remote Similarity NPC219809
0.6914 Remote Similarity NPC87489
0.6914 Remote Similarity NPC256112
0.6914 Remote Similarity NPC49964
0.6905 Remote Similarity NPC131329
0.6905 Remote Similarity NPC171722
0.6905 Remote Similarity NPC312561
0.6905 Remote Similarity NPC476600
0.6901 Remote Similarity NPC329698
0.6901 Remote Similarity NPC309300
0.6897 Remote Similarity NPC27531
0.6883 Remote Similarity NPC32832
0.6883 Remote Similarity NPC313185
0.6883 Remote Similarity NPC12696
0.6867 Remote Similarity NPC177932
0.6867 Remote Similarity NPC471795
0.6867 Remote Similarity NPC35933
0.6867 Remote Similarity NPC110405
0.6867 Remote Similarity NPC189311
0.6867 Remote Similarity NPC470048
0.6867 Remote Similarity NPC477578
0.686 Remote Similarity NPC220454
0.686 Remote Similarity NPC280149
0.686 Remote Similarity NPC212679
0.686 Remote Similarity NPC152467
0.686 Remote Similarity NPC38952
0.686 Remote Similarity NPC221111
0.686 Remote Similarity NPC469595
0.686 Remote Similarity NPC295668
0.6857 Remote Similarity NPC207007
0.6857 Remote Similarity NPC79576
0.6857 Remote Similarity NPC194208
0.6857 Remote Similarity NPC68679
0.6857 Remote Similarity NPC321867
0.6857 Remote Similarity NPC282694
0.6849 Remote Similarity NPC69649
0.6849 Remote Similarity NPC477791
0.6849 Remote Similarity NPC68703
0.6849 Remote Similarity NPC136813
0.6849 Remote Similarity NPC472266
0.6842 Remote Similarity NPC182717
0.6842 Remote Similarity NPC474140
0.6842 Remote Similarity NPC329763
0.6842 Remote Similarity NPC130665

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC327815 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
0.6941 Remote Similarity NPD6051 Approved
0.6867 Remote Similarity NPD1694 Approved
0.6857 Remote Similarity NPD368 Approved
0.6806 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6707 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6942 Approved
0.6667 Remote Similarity NPD7339 Approved
0.6667 Remote Similarity NPD8039 Approved
0.6582 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6543 Remote Similarity NPD7645 Phase 2
0.6538 Remote Similarity NPD6924 Approved
0.6538 Remote Similarity NPD6926 Approved
0.6494 Remote Similarity NPD4243 Approved
0.6471 Remote Similarity NPD342 Phase 1
0.6463 Remote Similarity NPD7525 Registered
0.6456 Remote Similarity NPD8264 Approved
0.6429 Remote Similarity NPD6695 Phase 3
0.6377 Remote Similarity NPD4219 Approved
0.6375 Remote Similarity NPD6933 Approved
0.6353 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6344 Remote Similarity NPD4225 Approved
0.6329 Remote Similarity NPD4784 Approved
0.6329 Remote Similarity NPD4785 Approved
0.6322 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6265 Remote Similarity NPD6930 Phase 2
0.6265 Remote Similarity NPD6931 Approved
0.625 Remote Similarity NPD1145 Discontinued
0.625 Remote Similarity NPD4190 Phase 3
0.625 Remote Similarity NPD5275 Approved
0.6234 Remote Similarity NPD6923 Approved
0.6234 Remote Similarity NPD6922 Approved
0.622 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6207 Remote Similarity NPD5330 Approved
0.6207 Remote Similarity NPD6409 Approved
0.6207 Remote Similarity NPD6684 Approved
0.6207 Remote Similarity NPD7146 Approved
0.6207 Remote Similarity NPD7521 Approved
0.6207 Remote Similarity NPD7334 Approved
0.617 Remote Similarity NPD7638 Approved
0.6163 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7143 Approved
0.6154 Remote Similarity NPD7144 Approved
0.6145 Remote Similarity NPD6929 Approved
0.6136 Remote Similarity NPD7750 Discontinued
0.6136 Remote Similarity NPD7524 Approved
0.6118 Remote Similarity NPD3667 Approved
0.6105 Remote Similarity NPD7639 Approved
0.6105 Remote Similarity NPD7640 Approved
0.6076 Remote Similarity NPD7150 Approved
0.6076 Remote Similarity NPD7151 Approved
0.6076 Remote Similarity NPD7152 Approved
0.6071 Remote Similarity NPD7514 Phase 3
0.6071 Remote Similarity NPD7509 Discontinued
0.6071 Remote Similarity NPD7332 Phase 2
0.6067 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6067 Remote Similarity NPD6903 Approved
0.6044 Remote Similarity NPD5693 Phase 1
0.6023 Remote Similarity NPD3618 Phase 1
0.5977 Remote Similarity NPD3133 Approved
0.5977 Remote Similarity NPD4786 Approved
0.5977 Remote Similarity NPD3668 Phase 3
0.5977 Remote Similarity NPD3665 Phase 1
0.5977 Remote Similarity NPD3666 Approved
0.5952 Remote Similarity NPD4195 Approved
0.593 Remote Similarity NPD5209 Approved
0.5909 Remote Similarity NPD6893 Approved
0.5909 Remote Similarity NPD1696 Phase 3
0.5904 Remote Similarity NPD5776 Phase 2
0.5904 Remote Similarity NPD6925 Approved
0.5904 Remote Similarity NPD6932 Approved
0.5889 Remote Similarity NPD5737 Approved
0.5889 Remote Similarity NPD6672 Approved
0.5882 Remote Similarity NPD4748 Discontinued
0.5876 Remote Similarity NPD4159 Approved
0.587 Remote Similarity NPD7087 Discontinued
0.5851 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5844 Remote Similarity NPD616 Clinical (unspecified phase)
0.5843 Remote Similarity NPD4623 Approved
0.5843 Remote Similarity NPD5279 Phase 3
0.5843 Remote Similarity NPD6098 Approved
0.5843 Remote Similarity NPD4519 Discontinued
0.5833 Remote Similarity NPD7145 Approved
0.5824 Remote Similarity NPD5328 Approved
0.5824 Remote Similarity NPD1695 Approved
0.5814 Remote Similarity NPD6898 Phase 1
0.5814 Remote Similarity NPD6902 Approved
0.5806 Remote Similarity NPD4202 Approved
0.5806 Remote Similarity NPD6399 Phase 3
0.5778 Remote Similarity NPD3573 Approved
0.5765 Remote Similarity NPD6683 Phase 2
0.5761 Remote Similarity NPD5207 Approved
0.5747 Remote Similarity NPD4223 Phase 3
0.5747 Remote Similarity NPD4221 Approved
0.5745 Remote Similarity NPD7900 Approved
0.5745 Remote Similarity NPD7748 Approved
0.5745 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5745 Remote Similarity NPD6001 Approved
0.573 Remote Similarity NPD1733 Clinical (unspecified phase)
0.573 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5208 Approved
0.5699 Remote Similarity NPD6079 Approved
0.5684 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5684 Remote Similarity NPD5695 Phase 3
0.5652 Remote Similarity NPD6673 Approved
0.5652 Remote Similarity NPD6080 Approved
0.5652 Remote Similarity NPD4753 Phase 2
0.5652 Remote Similarity NPD6904 Approved
0.5644 Remote Similarity NPD6008 Approved
0.5618 Remote Similarity NPD4197 Approved
0.5612 Remote Similarity NPD6648 Approved
0.561 Remote Similarity NPD4732 Discontinued

Structure

External Identifiers

PubChem CID   61953
ChEMBL   CHEMBL3185445
ZINC  

Physicochemical Properties

Molecular Weight:  194.17
ALogP:  1.6759
MLogP:  2.78
XLogP:  2.794
# Rotatable Bonds:  4
Polar Surface Area:  9.23
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  14

Download Data

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Biological Activities  
Similar NPs/Drugs