Natural Product: NPC84218

Natural Product ID:  NPC84218
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C17H28O2
Standard InCHIKey:  OETMLOBORLMQPE-YIUHCBHRSA-N
Standard InCHI:  InChI=1S/C17H28O2/c1-11-6-9-17-10-13(11)15(3,4)14(17)7-8-16(17,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13-,14+,16-,17+/m1/s1
Canonical SMILES:  CC(=O)O[C@]1(C)CC[C@@H]2[C@]31CC[C@H]([C@@H](C3)C2(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
NPO29705 Viticis fructus Species Curculionidae Eukaryota TCMSP*
NPO18840 Platycladi cacumen NA NA NA TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO11762 Agrimonia eupatoria Species Rosaceae Eukaryota TCMSP*
NPO29556 Piperis longi fructus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT603 Individual Protein Olfactory receptor 5K1 Homo sapiens Inhibition >= 50 % Patent: WO2013171535 A3

  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 NPC84218 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
0.8525 High Similarity NPC83088
0.8197 Intermediate Similarity NPC9880
0.8197 Intermediate Similarity NPC87828
0.8197 Intermediate Similarity NPC230070
0.8065 Intermediate Similarity NPC66145
0.7714 Intermediate Similarity NPC474524
0.7714 Intermediate Similarity NPC475517
0.7681 Intermediate Similarity NPC197701
0.7397 Intermediate Similarity NPC474404
0.7397 Intermediate Similarity NPC171658
0.7377 Intermediate Similarity NPC32222
0.7377 Intermediate Similarity NPC202146
0.7361 Intermediate Similarity NPC155441
0.7324 Intermediate Similarity NPC248567
0.7297 Intermediate Similarity NPC471045
0.7273 Intermediate Similarity NPC69953
0.7273 Intermediate Similarity NPC29342
0.7273 Intermediate Similarity NPC2572
0.7237 Intermediate Similarity NPC472229
0.7237 Intermediate Similarity NPC472230
0.7231 Intermediate Similarity NPC478126
0.7222 Intermediate Similarity NPC272359
0.7222 Intermediate Similarity NPC472944
0.7222 Intermediate Similarity NPC472945
0.7206 Intermediate Similarity NPC84562
0.72 Intermediate Similarity NPC476176
0.7143 Intermediate Similarity NPC196197
0.7143 Intermediate Similarity NPC3025
0.7123 Intermediate Similarity NPC186851
0.7105 Intermediate Similarity NPC474714
0.7105 Intermediate Similarity NPC472853
0.7067 Intermediate Similarity NPC199965
0.7067 Intermediate Similarity NPC476732
0.7059 Intermediate Similarity NPC474768
0.7042 Intermediate Similarity NPC168596
0.7042 Intermediate Similarity NPC94632
0.7 Intermediate Similarity NPC131365
0.7 Intermediate Similarity NPC64862
0.6974 Remote Similarity NPC118987
0.6974 Remote Similarity NPC477287
0.697 Remote Similarity NPC204173
0.6957 Remote Similarity NPC268736
0.6957 Remote Similarity NPC477931
0.6957 Remote Similarity NPC42060
0.6944 Remote Similarity NPC469940
0.6933 Remote Similarity NPC169389
0.6933 Remote Similarity NPC180199
0.6933 Remote Similarity NPC212453
0.6933 Remote Similarity NPC475932
0.6933 Remote Similarity NPC477919
0.6923 Remote Similarity NPC477936
0.6923 Remote Similarity NPC477935
0.6914 Remote Similarity NPC5943
0.6892 Remote Similarity NPC478105
0.6892 Remote Similarity NPC72444
0.6885 Remote Similarity NPC274261
0.6885 Remote Similarity NPC291724
0.6883 Remote Similarity NPC170038
0.6866 Remote Similarity NPC306750
0.6857 Remote Similarity NPC476928
0.6857 Remote Similarity NPC474221
0.6857 Remote Similarity NPC130459
0.6857 Remote Similarity NPC478180
0.6835 Remote Similarity NPC259173
0.6829 Remote Similarity NPC33398
0.6812 Remote Similarity NPC475943
0.6812 Remote Similarity NPC243469
0.6812 Remote Similarity NPC190827
0.6806 Remote Similarity NPC108131
0.6806 Remote Similarity NPC477929
0.6795 Remote Similarity NPC58631
0.6795 Remote Similarity NPC190940
0.6795 Remote Similarity NPC232625
0.6769 Remote Similarity NPC29976
0.6769 Remote Similarity NPC150713
0.6753 Remote Similarity NPC220379
0.6711 Remote Similarity NPC477918
0.6711 Remote Similarity NPC471151
0.6709 Remote Similarity NPC102156
0.6709 Remote Similarity NPC477284
0.6709 Remote Similarity NPC477286
0.6709 Remote Similarity NPC164289
0.6709 Remote Similarity NPC311642
0.6709 Remote Similarity NPC148740
0.6709 Remote Similarity NPC286719
0.6709 Remote Similarity NPC13494
0.6709 Remote Similarity NPC242771
0.6709 Remote Similarity NPC100366
0.6667 Remote Similarity NPC252032
0.6667 Remote Similarity NPC206735
0.6667 Remote Similarity NPC132064
0.6667 Remote Similarity NPC476734
0.6667 Remote Similarity NPC64466
0.6667 Remote Similarity NPC1882
0.6667 Remote Similarity NPC266651
0.6667 Remote Similarity NPC128608
0.6667 Remote Similarity NPC477934
0.6667 Remote Similarity NPC469941
0.6667 Remote Similarity NPC22301
0.6667 Remote Similarity NPC319671
0.6667 Remote Similarity NPC162685
0.6667 Remote Similarity NPC474962
0.6625 Remote Similarity NPC477285
0.6625 Remote Similarity NPC111582
0.6625 Remote Similarity NPC472847
0.6622 Remote Similarity NPC474123
0.6622 Remote Similarity NPC109510
0.662 Remote Similarity NPC41542
0.662 Remote Similarity NPC63190
0.662 Remote Similarity NPC469868
0.6613 Remote Similarity NPC274182
0.6582 Remote Similarity NPC73515
0.6579 Remote Similarity NPC477932
0.6579 Remote Similarity NPC471046
0.6579 Remote Similarity NPC472472
0.6579 Remote Similarity NPC477933
0.6575 Remote Similarity NPC477850
0.6571 Remote Similarity NPC19311
0.6571 Remote Similarity NPC230047
0.6567 Remote Similarity NPC95958
0.6548 Remote Similarity NPC472234
0.6548 Remote Similarity NPC472233
0.6543 Remote Similarity NPC291310
0.6538 Remote Similarity NPC44083
0.6538 Remote Similarity NPC153987
0.6538 Remote Similarity NPC47808
0.6538 Remote Similarity NPC305835
0.6533 Remote Similarity NPC280026
0.6533 Remote Similarity NPC167702
0.6533 Remote Similarity NPC55508
0.6533 Remote Similarity NPC477508
0.6533 Remote Similarity NPC472854
0.6528 Remote Similarity NPC474756
0.6528 Remote Similarity NPC473225
0.6522 Remote Similarity NPC236099
0.6522 Remote Similarity NPC249078
0.6522 Remote Similarity NPC209686
0.6512 Remote Similarity NPC472238
0.6512 Remote Similarity NPC472237
0.65 Remote Similarity NPC258153
0.65 Remote Similarity NPC60018
0.65 Remote Similarity NPC154043
0.65 Remote Similarity NPC24556
0.65 Remote Similarity NPC202688
0.65 Remote Similarity NPC476458
0.6494 Remote Similarity NPC66105
0.6494 Remote Similarity NPC74685
0.6486 Remote Similarity NPC478227
0.6486 Remote Similarity NPC472309
0.6462 Remote Similarity NPC89069
0.6462 Remote Similarity NPC166894
0.6462 Remote Similarity NPC283655
0.6462 Remote Similarity NPC277917
0.6462 Remote Similarity NPC178223
0.6456 Remote Similarity NPC66766
0.6456 Remote Similarity NPC304194
0.6456 Remote Similarity NPC117137
0.6456 Remote Similarity NPC80622
0.6456 Remote Similarity NPC261616
0.6447 Remote Similarity NPC476424
0.6447 Remote Similarity NPC139765
0.6447 Remote Similarity NPC472311
0.6447 Remote Similarity NPC212733
0.6447 Remote Similarity NPC24014
0.6447 Remote Similarity NPC27349
0.6447 Remote Similarity NPC131584
0.6438 Remote Similarity NPC321732
0.6438 Remote Similarity NPC98711
0.6438 Remote Similarity NPC295788
0.6438 Remote Similarity NPC178541
0.6438 Remote Similarity NPC324607
0.6437 Remote Similarity NPC39453
0.6429 Remote Similarity NPC167995
0.6429 Remote Similarity NPC118937
0.6429 Remote Similarity NPC28227
0.6429 Remote Similarity NPC159654
0.6429 Remote Similarity NPC281540
0.642 Remote Similarity NPC170862
0.642 Remote Similarity NPC477852
0.6418 Remote Similarity NPC132998
0.6418 Remote Similarity NPC476735
0.641 Remote Similarity NPC321690
0.641 Remote Similarity NPC63020
0.64 Remote Similarity NPC279241
0.64 Remote Similarity NPC310766
0.6395 Remote Similarity NPC150383
0.6395 Remote Similarity NPC473066
0.6386 Remote Similarity NPC155531
0.6386 Remote Similarity NPC80590
0.6386 Remote Similarity NPC103782
0.6386 Remote Similarity NPC114378
0.6386 Remote Similarity NPC92139
0.6386 Remote Similarity NPC215968
0.6386 Remote Similarity NPC477283
0.6377 Remote Similarity NPC95804
0.6377 Remote Similarity NPC185547
0.6375 Remote Similarity NPC472471
0.6375 Remote Similarity NPC77311
0.6364 Remote Similarity NPC470145
0.6364 Remote Similarity NPC4209

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC84218 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
0.7606 Intermediate Similarity NPD3702 Approved
0.7429 Intermediate Similarity NPD5777 Approved
0.6957 Remote Similarity NPD4224 Phase 2
0.6712 Remote Similarity NPD6081 Approved
0.6585 Remote Similarity NPD6098 Approved
0.6571 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6533 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6528 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6528 Remote Similarity NPD5360 Phase 3
0.6471 Remote Similarity NPD5207 Approved
0.6438 Remote Similarity NPD3698 Phase 2
0.6429 Remote Similarity NPD5208 Approved
0.6429 Remote Similarity NPD6903 Approved
0.6364 Remote Similarity NPD6117 Approved
0.6353 Remote Similarity NPD6673 Approved
0.6353 Remote Similarity NPD6080 Approved
0.6353 Remote Similarity NPD6051 Approved
0.6353 Remote Similarity NPD6904 Approved
0.6351 Remote Similarity NPD4244 Approved
0.6351 Remote Similarity NPD4245 Approved
0.6351 Remote Similarity NPD4787 Phase 1
0.6282 Remote Similarity NPD6116 Phase 1
0.6279 Remote Similarity NPD5692 Phase 3
0.6267 Remote Similarity NPD4758 Discontinued
0.625 Remote Similarity NPD6928 Phase 2
0.625 Remote Similarity NPD6001 Approved
0.6207 Remote Similarity NPD5694 Approved
0.6207 Remote Similarity NPD5693 Phase 1
0.6207 Remote Similarity NPD6050 Approved
0.6203 Remote Similarity NPD6118 Approved
0.6203 Remote Similarity NPD6114 Approved
0.6203 Remote Similarity NPD6115 Approved
0.6203 Remote Similarity NPD6697 Approved
0.619 Remote Similarity NPD5330 Approved
0.619 Remote Similarity NPD7334 Approved
0.619 Remote Similarity NPD6409 Approved
0.619 Remote Similarity NPD7146 Approved
0.619 Remote Similarity NPD6684 Approved
0.619 Remote Similarity NPD7521 Approved
0.618 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6133 Remote Similarity NPD4789 Approved
0.6125 Remote Similarity NPD4195 Approved
0.6087 Remote Similarity NPD3198 Approved
0.6067 Remote Similarity NPD5707 Approved
0.6053 Remote Similarity NPD4243 Approved
0.6053 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6053 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6047 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6 Remote Similarity NPD5654 Approved
0.6 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6 Remote Similarity NPD5695 Phase 3
0.6 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6 Remote Similarity NPD367 Approved
0.5976 Remote Similarity NPD4139 Approved
0.5976 Remote Similarity NPD4692 Approved
0.5968 Remote Similarity NPD345 Approved
0.5968 Remote Similarity NPD343 Approved
0.5968 Remote Similarity NPD344 Approved
0.5904 Remote Similarity NPD4221 Approved
0.5904 Remote Similarity NPD4223 Phase 3
0.5897 Remote Similarity NPD4785 Approved
0.5897 Remote Similarity NPD4784 Approved
0.5882 Remote Similarity NPD586 Phase 1
0.587 Remote Similarity NPD6083 Phase 2
0.587 Remote Similarity NPD6084 Phase 2
0.587 Remote Similarity NPD5959 Approved
0.5862 Remote Similarity NPD6672 Approved
0.5862 Remote Similarity NPD5737 Approved
0.5843 Remote Similarity NPD5281 Approved
0.5843 Remote Similarity NPD5284 Approved
0.5833 Remote Similarity NPD4788 Approved
0.5823 Remote Similarity NPD4190 Phase 3
0.5823 Remote Similarity NPD5275 Approved
0.5821 Remote Similarity NPD615 Clinical (unspecified phase)
0.5806 Remote Similarity NPD388 Approved
0.5806 Remote Similarity NPD386 Approved
0.5806 Remote Similarity NPD5696 Approved
0.5802 Remote Similarity NPD5364 Discontinued
0.5765 Remote Similarity NPD4197 Approved
0.5729 Remote Similarity NPD6052 Approved
0.5698 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5698 Remote Similarity NPD5329 Approved
0.5684 Remote Similarity NPD1700 Approved
0.5667 Remote Similarity NPD8034 Phase 2
0.5667 Remote Similarity NPD8035 Phase 2
0.5663 Remote Similarity NPD4748 Discontinued
0.5658 Remote Similarity NPD6705 Phase 1
0.5657 Remote Similarity NPD7320 Approved
0.5632 Remote Similarity NPD5205 Approved
0.5632 Remote Similarity NPD4693 Phase 3
0.5632 Remote Similarity NPD4138 Approved
0.5632 Remote Similarity NPD5280 Approved
0.5632 Remote Similarity NPD4694 Approved
0.5632 Remote Similarity NPD5690 Phase 2
0.5632 Remote Similarity NPD4689 Approved
0.5632 Remote Similarity NPD4688 Approved
0.5632 Remote Similarity NPD4690 Approved
0.5625 Remote Similarity NPD3703 Phase 2
0.5612 Remote Similarity NPD6008 Approved
0.561 Remote Similarity NPD4238 Approved
0.561 Remote Similarity NPD4802 Phase 2
0.5604 Remote Similarity NPD6399 Phase 3

Structure

External Identifiers

PubChem CID   54146524
ChEMBL   CHEMBL3727698
ZINC  

Physicochemical Properties

Molecular Weight:  264.21
ALogP:  1.7364
MLogP:  3.11
XLogP:  5.705
# Rotatable Bonds:  7
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

Download Data

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