Natural Product: NPC202146

Natural Product ID:  NPC202146
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H26O
Standard InCHIKey:  SVURIXNDRWRAFU-RVLYAHEQSA-N
Standard InCHI:  InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10?,11?,12?,14-,15?/m0/s1
Canonical SMILES:  CC1CCC2C31CC[C@](C(C3)C2(C)C)(C)O
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
NPO29010 Amomum compactum Species Zingiberaceae Eukaryota TM-MC*
NPO12322 Amomum krervanh Species Zingiberaceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 631 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency = 501.2 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 1412.5 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 NPC202146 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 NPC32222
0.8545 High Similarity NPC3025
0.8421 Intermediate Similarity NPC95958
0.8136 Intermediate Similarity NPC95804
0.8136 Intermediate Similarity NPC185547
0.807 Intermediate Similarity NPC150713
0.807 Intermediate Similarity NPC29976
0.7931 Intermediate Similarity NPC162685
0.7885 Intermediate Similarity NPC14552
0.7719 Intermediate Similarity NPC178223
0.7719 Intermediate Similarity NPC89069
0.7719 Intermediate Similarity NPC277917
0.7719 Intermediate Similarity NPC166894
0.7719 Intermediate Similarity NPC283655
0.7705 Intermediate Similarity NPC209686
0.7705 Intermediate Similarity NPC249078
0.7705 Intermediate Similarity NPC236099
0.7679 Intermediate Similarity NPC36002
0.7679 Intermediate Similarity NPC102336
0.7593 Intermediate Similarity NPC127997
0.7593 Intermediate Similarity NPC95969
0.7593 Intermediate Similarity NPC316035
0.7544 Intermediate Similarity NPC53209
0.7541 Intermediate Similarity NPC148174
0.7541 Intermediate Similarity NPC147524
0.7541 Intermediate Similarity NPC218585
0.7541 Intermediate Similarity NPC71460
0.75 Intermediate Similarity NPC48079
0.746 Intermediate Similarity NPC474380
0.746 Intermediate Similarity NPC41577
0.746 Intermediate Similarity NPC473276
0.7458 Intermediate Similarity NPC236588
0.7458 Intermediate Similarity NPC135438
0.7419 Intermediate Similarity NPC114891
0.7414 Intermediate Similarity NPC471269
0.7385 Intermediate Similarity NPC472741
0.7385 Intermediate Similarity NPC474756
0.7377 Intermediate Similarity NPC84218
0.7358 Intermediate Similarity NPC77550
0.7358 Intermediate Similarity NPC108441
0.7344 Intermediate Similarity NPC142712
0.7333 Intermediate Similarity NPC476735
0.7302 Intermediate Similarity NPC69149
0.7302 Intermediate Similarity NPC128608
0.7273 Intermediate Similarity NPC241085
0.7273 Intermediate Similarity NPC107919
0.7273 Intermediate Similarity NPC299948
0.7273 Intermediate Similarity NPC294858
0.7273 Intermediate Similarity NPC470830
0.7273 Intermediate Similarity NPC66407
0.7273 Intermediate Similarity NPC129829
0.7273 Intermediate Similarity NPC254037
0.7231 Intermediate Similarity NPC74885
0.7231 Intermediate Similarity NPC63190
0.7231 Intermediate Similarity NPC308522
0.7231 Intermediate Similarity NPC473230
0.7231 Intermediate Similarity NPC475884
0.7188 Intermediate Similarity NPC472946
0.7188 Intermediate Similarity NPC475943
0.7188 Intermediate Similarity NPC190827
0.7188 Intermediate Similarity NPC243469
0.7164 Intermediate Similarity NPC282454
0.7164 Intermediate Similarity NPC192192
0.7164 Intermediate Similarity NPC231945
0.7077 Intermediate Similarity NPC44122
0.7059 Intermediate Similarity NPC195530
0.7059 Intermediate Similarity NPC1340
0.7059 Intermediate Similarity NPC157777
0.7059 Intermediate Similarity NPC473279
0.7059 Intermediate Similarity NPC470071
0.7059 Intermediate Similarity NPC157422
0.7059 Intermediate Similarity NPC100586
0.7059 Intermediate Similarity NPC8004
0.7059 Intermediate Similarity NPC127283
0.7059 Intermediate Similarity NPC109457
0.7059 Intermediate Similarity NPC187471
0.7059 Intermediate Similarity NPC131506
0.7059 Intermediate Similarity NPC252182
0.7059 Intermediate Similarity NPC127094
0.7049 Intermediate Similarity NPC189290
0.7049 Intermediate Similarity NPC474769
0.7031 Intermediate Similarity NPC159654
0.7031 Intermediate Similarity NPC118937
0.7031 Intermediate Similarity NPC167995
0.7031 Intermediate Similarity NPC219940
0.7031 Intermediate Similarity NPC281540
0.7015 Intermediate Similarity NPC196197
0.7015 Intermediate Similarity NPC477820
0.7 Intermediate Similarity NPC139765
0.7 Intermediate Similarity NPC91387
0.7 Intermediate Similarity NPC231680
0.7 Intermediate Similarity NPC39068
0.7 Intermediate Similarity NPC270306
0.7 Intermediate Similarity NPC264779
0.7 Intermediate Similarity NPC476424
0.7 Intermediate Similarity NPC131584
0.7 Intermediate Similarity NPC155441
0.6957 Remote Similarity NPC473238
0.6957 Remote Similarity NPC153719
0.6957 Remote Similarity NPC472341
0.6912 Remote Similarity NPC63588
0.6912 Remote Similarity NPC232925
0.6912 Remote Similarity NPC251201
0.6909 Remote Similarity NPC84030
0.6909 Remote Similarity NPC223468
0.6909 Remote Similarity NPC287550
0.6909 Remote Similarity NPC198540
0.6909 Remote Similarity NPC176309
0.6909 Remote Similarity NPC147343
0.6866 Remote Similarity NPC473225
0.6857 Remote Similarity NPC192501
0.6857 Remote Similarity NPC477508
0.6857 Remote Similarity NPC475458
0.6857 Remote Similarity NPC228994
0.6857 Remote Similarity NPC10476
0.6857 Remote Similarity NPC304499
0.6849 Remote Similarity NPC269333
0.6849 Remote Similarity NPC329871
0.6833 Remote Similarity NPC45387
0.6833 Remote Similarity NPC300189
0.6825 Remote Similarity NPC135648
0.6812 Remote Similarity NPC111234
0.6812 Remote Similarity NPC478103
0.6806 Remote Similarity NPC11907
0.6806 Remote Similarity NPC474574
0.6806 Remote Similarity NPC133596
0.6806 Remote Similarity NPC64081
0.6774 Remote Similarity NPC475515
0.6774 Remote Similarity NPC215671
0.6774 Remote Similarity NPC47663
0.6774 Remote Similarity NPC87296
0.6761 Remote Similarity NPC243027
0.6761 Remote Similarity NPC317242
0.6761 Remote Similarity NPC186851
0.6761 Remote Similarity NPC3403
0.6761 Remote Similarity NPC196136
0.6761 Remote Similarity NPC158208
0.6724 Remote Similarity NPC274182
0.6721 Remote Similarity NPC179024
0.6719 Remote Similarity NPC15152
0.6719 Remote Similarity NPC83088
0.6714 Remote Similarity NPC232112
0.6714 Remote Similarity NPC470610
0.6714 Remote Similarity NPC201373
0.6667 Remote Similarity NPC45296
0.6667 Remote Similarity NPC475728
0.6667 Remote Similarity NPC300442
0.6667 Remote Similarity NPC91573
0.6667 Remote Similarity NPC163597
0.6667 Remote Similarity NPC144891
0.6667 Remote Similarity NPC64123
0.6667 Remote Similarity NPC230047
0.6667 Remote Similarity NPC470145
0.6667 Remote Similarity NPC260116
0.6667 Remote Similarity NPC80463
0.6667 Remote Similarity NPC19311
0.6622 Remote Similarity NPC81074
0.6622 Remote Similarity NPC477282
0.662 Remote Similarity NPC192638
0.662 Remote Similarity NPC145552
0.662 Remote Similarity NPC48795
0.662 Remote Similarity NPC25511
0.662 Remote Similarity NPC254509
0.662 Remote Similarity NPC62657
0.662 Remote Similarity NPC49168
0.662 Remote Similarity NPC478130
0.662 Remote Similarity NPC5046
0.662 Remote Similarity NPC196358
0.6615 Remote Similarity NPC292419
0.6615 Remote Similarity NPC290791
0.6613 Remote Similarity NPC291147
0.66 Remote Similarity NPC328441
0.6575 Remote Similarity NPC23884
0.6575 Remote Similarity NPC212453
0.6575 Remote Similarity NPC185915
0.6575 Remote Similarity NPC128951
0.6575 Remote Similarity NPC192046
0.6575 Remote Similarity NPC477227
0.6575 Remote Similarity NPC475031
0.6575 Remote Similarity NPC476233
0.6575 Remote Similarity NPC105208
0.6575 Remote Similarity NPC302578
0.6571 Remote Similarity NPC320549
0.6571 Remote Similarity NPC58057
0.6571 Remote Similarity NPC156277
0.6571 Remote Similarity NPC89310
0.6571 Remote Similarity NPC151018
0.6567 Remote Similarity NPC42060
0.6567 Remote Similarity NPC477931
0.6567 Remote Similarity NPC268736
0.6545 Remote Similarity NPC313795
0.6533 Remote Similarity NPC66766
0.6533 Remote Similarity NPC117137
0.6528 Remote Similarity NPC178383
0.6528 Remote Similarity NPC118508
0.6528 Remote Similarity NPC212733
0.6528 Remote Similarity NPC97534
0.6528 Remote Similarity NPC195155
0.6528 Remote Similarity NPC174964
0.6528 Remote Similarity NPC121744

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC202146 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
0.7358 Intermediate Similarity NPD386 Approved
0.7358 Intermediate Similarity NPD388 Approved
0.7273 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD5360 Phase 3
0.6923 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6912 Remote Similarity NPD4787 Phase 1
0.6909 Remote Similarity NPD384 Approved
0.6909 Remote Similarity NPD385 Approved
0.6812 Remote Similarity NPD4758 Discontinued
0.6571 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6571 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6571 Remote Similarity NPD4243 Approved
0.6567 Remote Similarity NPD4224 Phase 2
0.6522 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6522 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6438 Remote Similarity NPD6117 Approved
0.6429 Remote Similarity NPD4789 Approved
0.6389 Remote Similarity NPD4785 Approved
0.6389 Remote Similarity NPD4784 Approved
0.6389 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6377 Remote Similarity NPD6705 Phase 1
0.6364 Remote Similarity NPD367 Approved
0.6351 Remote Similarity NPD6116 Phase 1
0.6338 Remote Similarity NPD6081 Approved
0.6316 Remote Similarity NPD7525 Registered
0.6301 Remote Similarity NPD3703 Phase 2
0.6301 Remote Similarity NPD7339 Approved
0.6301 Remote Similarity NPD4190 Phase 3
0.6301 Remote Similarity NPD5275 Approved
0.6301 Remote Similarity NPD6942 Approved
0.6301 Remote Similarity NPD3702 Approved
0.6286 Remote Similarity NPD3698 Phase 2
0.6267 Remote Similarity NPD6118 Approved
0.6267 Remote Similarity NPD5364 Discontinued
0.6267 Remote Similarity NPD6697 Approved
0.6267 Remote Similarity NPD6114 Approved
0.6267 Remote Similarity NPD6115 Approved
0.6197 Remote Similarity NPD4244 Approved
0.6197 Remote Similarity NPD4245 Approved
0.619 Remote Similarity NPD586 Phase 1
0.6104 Remote Similarity NPD6928 Phase 2
0.6104 Remote Similarity NPD4748 Discontinued
0.6034 Remote Similarity NPD343 Approved
0.6034 Remote Similarity NPD345 Approved
0.6034 Remote Similarity NPD344 Approved
0.6 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5974 Remote Similarity NPD4195 Approved
0.5946 Remote Similarity NPD6924 Approved
0.5946 Remote Similarity NPD6926 Approved
0.5844 Remote Similarity NPD3671 Phase 1
0.5823 Remote Similarity NPD4692 Approved
0.5823 Remote Similarity NPD4139 Approved
0.5797 Remote Similarity NPD371 Approved
0.5789 Remote Similarity NPD6933 Approved
0.575 Remote Similarity NPD4221 Approved
0.575 Remote Similarity NPD4223 Phase 3
0.5732 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5679 Remote Similarity NPD4788 Approved
0.5676 Remote Similarity NPD7152 Approved
0.5676 Remote Similarity NPD7151 Approved
0.5676 Remote Similarity NPD7150 Approved
0.5641 Remote Similarity NPD3617 Approved
0.5625 Remote Similarity NPD615 Clinical (unspecified phase)
0.5616 Remote Similarity NPD6922 Approved
0.5616 Remote Similarity NPD6923 Approved
0.561 Remote Similarity NPD4197 Approved
0.561 Remote Similarity NPD4786 Approved

Structure

External Identifiers

PubChem CID   6432709
ChEMBL   CHEMBL1592444
ZINC  

Physicochemical Properties

Molecular Weight:  222.20
ALogP:  1.3573
MLogP:  3
XLogP:  5.176
# Rotatable Bonds:  5
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

Download Data

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Similar NPs/Drugs