Natural Product: NPC204173

Natural Product ID:  NPC204173
Common Name:   ((1S,2S,4As,8As)-2-Acetoxy-5,5,8A-Trimethyldecahydronaphthalen-1-Yl)Methyl Acetate
IUPAC Name:   [(1S,2S,4aS,8aS)-2-acetyloxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methyl acetate
Synonyms:  
Molecular Formula:   C18H30O4
Standard InCHIKey:  OQQKGRMBCSOPSZ-NBOOPKSLSA-N
Standard InCHI:  InChI=1S/C18H30O4/c1-12(19)21-11-14-15(22-13(2)20)7-8-16-17(3,4)9-6-10-18(14,16)5/h14-16H,6-11H2,1-5H3/t14-,15-,16-,18+/m0/s1
Canonical SMILES:  CC(=O)OC[C@H]1[C@H](CC[C@@H]2[C@]1(C)CCCC2(C)C)OC(=O)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
NPO30670 Dysidea Genus Dysideidae Eukaryota PMID[9392880]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT773 Organism Photobacterium leiognathi Photobacterium leiognathi IC50 = 90000 nM DrugMatrix in vivo data: Hematology

  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 NPC204173 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
0.8438 Intermediate Similarity NPC476928
0.8088 Intermediate Similarity NPC109510
0.807 Intermediate Similarity NPC274261
0.807 Intermediate Similarity NPC291724
0.7971 Intermediate Similarity NPC55508
0.7971 Intermediate Similarity NPC74639
0.7887 Intermediate Similarity NPC471151
0.7857 Intermediate Similarity NPC478105
0.7826 Intermediate Similarity NPC474755
0.7727 Intermediate Similarity NPC84562
0.7714 Intermediate Similarity NPC272359
0.7639 Intermediate Similarity NPC212453
0.7639 Intermediate Similarity NPC307865
0.7612 Intermediate Similarity NPC41542
0.7606 Intermediate Similarity NPC186851
0.7576 Intermediate Similarity NPC474768
0.7571 Intermediate Similarity NPC123122
0.7568 Intermediate Similarity NPC472943
0.7568 Intermediate Similarity NPC471216
0.7568 Intermediate Similarity NPC475456
0.7568 Intermediate Similarity NPC471217
0.7568 Intermediate Similarity NPC472951
0.7568 Intermediate Similarity NPC474714
0.7534 Intermediate Similarity NPC243594
0.7534 Intermediate Similarity NPC31031
0.75 Intermediate Similarity NPC471046
0.7467 Intermediate Similarity NPC71541
0.7467 Intermediate Similarity NPC470156
0.7467 Intermediate Similarity NPC470154
0.7465 Intermediate Similarity NPC71152
0.7465 Intermediate Similarity NPC472944
0.7465 Intermediate Similarity NPC472945
0.7432 Intermediate Similarity NPC220379
0.7432 Intermediate Similarity NPC477287
0.7432 Intermediate Similarity NPC73013
0.7432 Intermediate Similarity NPC476176
0.7432 Intermediate Similarity NPC474754
0.7397 Intermediate Similarity NPC143250
0.7397 Intermediate Similarity NPC84868
0.7397 Intermediate Similarity NPC474433
0.7391 Intermediate Similarity NPC178541
0.7385 Intermediate Similarity NPC306750
0.7385 Intermediate Similarity NPC83088
0.7368 Intermediate Similarity NPC208912
0.7368 Intermediate Similarity NPC477284
0.7368 Intermediate Similarity NPC202688
0.7368 Intermediate Similarity NPC2096
0.7368 Intermediate Similarity NPC154043
0.7368 Intermediate Similarity NPC477446
0.7368 Intermediate Similarity NPC470155
0.7368 Intermediate Similarity NPC477447
0.7368 Intermediate Similarity NPC13494
0.7368 Intermediate Similarity NPC60018
0.7333 Intermediate Similarity NPC304194
0.7333 Intermediate Similarity NPC269791
0.7333 Intermediate Similarity NPC134227
0.7333 Intermediate Similarity NPC125366
0.7333 Intermediate Similarity NPC261616
0.7324 Intermediate Similarity NPC476718
0.7313 Intermediate Similarity NPC230047
0.7313 Intermediate Similarity NPC19311
0.7302 Intermediate Similarity NPC135438
0.7302 Intermediate Similarity NPC236588
0.7297 Intermediate Similarity NPC471045
0.7273 Intermediate Similarity NPC474253
0.7273 Intermediate Similarity NPC474346
0.7273 Intermediate Similarity NPC475820
0.7273 Intermediate Similarity NPC474284
0.7273 Intermediate Similarity NPC213737
0.726 Intermediate Similarity NPC474020
0.726 Intermediate Similarity NPC4209
0.726 Intermediate Similarity NPC92489
0.7258 Intermediate Similarity NPC300189
0.7237 Intermediate Similarity NPC73515
0.7237 Intermediate Similarity NPC475743
0.7237 Intermediate Similarity NPC190940
0.7237 Intermediate Similarity NPC170303
0.7237 Intermediate Similarity NPC476494
0.7231 Intermediate Similarity NPC478126
0.72 Intermediate Similarity NPC80891
0.72 Intermediate Similarity NPC47808
0.72 Intermediate Similarity NPC201276
0.72 Intermediate Similarity NPC305835
0.7179 Intermediate Similarity NPC65133
0.7179 Intermediate Similarity NPC473299
0.7179 Intermediate Similarity NPC477434
0.7179 Intermediate Similarity NPC319909
0.7179 Intermediate Similarity NPC18953
0.7179 Intermediate Similarity NPC299963
0.7162 Intermediate Similarity NPC207010
0.7162 Intermediate Similarity NPC317913
0.7162 Intermediate Similarity NPC171658
0.7143 Intermediate Similarity NPC286719
0.7143 Intermediate Similarity NPC289486
0.7143 Intermediate Similarity NPC477286
0.7143 Intermediate Similarity NPC61107
0.7143 Intermediate Similarity NPC286786
0.7123 Intermediate Similarity NPC212733
0.7105 Intermediate Similarity NPC469802
0.7105 Intermediate Similarity NPC206735
0.7101 Intermediate Similarity NPC472984
0.7089 Intermediate Similarity NPC473350
0.7089 Intermediate Similarity NPC235402
0.7089 Intermediate Similarity NPC477445
0.7089 Intermediate Similarity NPC266651
0.7089 Intermediate Similarity NPC476602
0.7083 Intermediate Similarity NPC475230
0.7077 Intermediate Similarity NPC9880
0.7077 Intermediate Similarity NPC87828
0.7077 Intermediate Similarity NPC230070
0.7067 Intermediate Similarity NPC34046
0.7067 Intermediate Similarity NPC472608
0.7067 Intermediate Similarity NPC80089
0.7067 Intermediate Similarity NPC224802
0.7067 Intermediate Similarity NPC171426
0.7067 Intermediate Similarity NPC324700
0.7051 Intermediate Similarity NPC477285
0.7051 Intermediate Similarity NPC111582
0.7051 Intermediate Similarity NPC15091
0.7051 Intermediate Similarity NPC132386
0.7051 Intermediate Similarity NPC473742
0.7027 Intermediate Similarity NPC136424
0.7013 Intermediate Similarity NPC280781
0.7013 Intermediate Similarity NPC290495
0.7013 Intermediate Similarity NPC329490
0.7013 Intermediate Similarity NPC271572
0.7013 Intermediate Similarity NPC474870
0.7013 Intermediate Similarity NPC195334
0.7013 Intermediate Similarity NPC48756
0.7013 Intermediate Similarity NPC58631
0.7013 Intermediate Similarity NPC328639
0.7013 Intermediate Similarity NPC142163
0.7013 Intermediate Similarity NPC475951
0.7 Intermediate Similarity NPC477441
0.7 Intermediate Similarity NPC471411
0.7 Intermediate Similarity NPC103782
0.7 Intermediate Similarity NPC474008
0.7 Intermediate Similarity NPC471410
0.7 Intermediate Similarity NPC131365
0.7 Intermediate Similarity NPC83242
0.7 Intermediate Similarity NPC477283
0.7 Intermediate Similarity NPC155531
0.7 Intermediate Similarity NPC215968
0.7 Intermediate Similarity NPC131813
0.7 Intermediate Similarity NPC114378
0.6986 Remote Similarity NPC280026
0.6986 Remote Similarity NPC167702
0.6986 Remote Similarity NPC96759
0.6984 Remote Similarity NPC471269
0.6974 Remote Similarity NPC320144
0.697 Remote Similarity NPC84218
0.697 Remote Similarity NPC66145
0.6962 Remote Similarity NPC9060
0.6962 Remote Similarity NPC471044
0.6962 Remote Similarity NPC219535
0.6962 Remote Similarity NPC181871
0.6962 Remote Similarity NPC237938
0.6962 Remote Similarity NPC473336
0.6944 Remote Similarity NPC100586
0.6944 Remote Similarity NPC109457
0.6944 Remote Similarity NPC131506
0.6944 Remote Similarity NPC157777
0.6944 Remote Similarity NPC157422
0.6944 Remote Similarity NPC478227
0.6944 Remote Similarity NPC469940
0.6933 Remote Similarity NPC476719
0.6933 Remote Similarity NPC477918
0.6933 Remote Similarity NPC143133
0.6933 Remote Similarity NPC298168
0.6933 Remote Similarity NPC283619
0.6923 Remote Similarity NPC47663
0.6923 Remote Similarity NPC132998
0.6923 Remote Similarity NPC472504
0.6923 Remote Similarity NPC240206
0.6923 Remote Similarity NPC256112
0.6914 Remote Similarity NPC213658
0.6914 Remote Similarity NPC5943
0.6914 Remote Similarity NPC45833
0.6914 Remote Similarity NPC62202
0.6914 Remote Similarity NPC166857
0.6914 Remote Similarity NPC110365
0.6901 Remote Similarity NPC295788
0.6901 Remote Similarity NPC470833
0.6901 Remote Similarity NPC107919
0.6892 Remote Similarity NPC472950
0.6892 Remote Similarity NPC179858
0.6892 Remote Similarity NPC477934
0.6892 Remote Similarity NPC472952
0.6875 Remote Similarity NPC474572
0.6875 Remote Similarity NPC98270
0.6875 Remote Similarity NPC477205
0.6875 Remote Similarity NPC164424
0.6875 Remote Similarity NPC62572
0.6875 Remote Similarity NPC474013
0.6857 Remote Similarity NPC475884
0.6857 Remote Similarity NPC473230
0.6849 Remote Similarity NPC253805
0.6842 Remote Similarity NPC329117
0.6842 Remote Similarity NPC26029
0.6842 Remote Similarity NPC43463

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC204173 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
0.726 Intermediate Similarity NPD6117 Approved
0.7183 Intermediate Similarity NPD5777 Approved
0.7162 Intermediate Similarity NPD6116 Phase 1
0.7067 Intermediate Similarity NPD6114 Approved
0.7067 Intermediate Similarity NPD6115 Approved
0.7067 Intermediate Similarity NPD6118 Approved
0.7067 Intermediate Similarity NPD6697 Approved
0.6986 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6901 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3702 Approved
0.6667 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6528 Remote Similarity NPD229 Approved
0.6494 Remote Similarity NPD8144 Approved
0.6494 Remote Similarity NPD8143 Approved
0.6486 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6486 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6479 Remote Similarity NPD4224 Phase 2
0.6447 Remote Similarity NPD3703 Phase 2
0.6395 Remote Similarity NPD8035 Phase 2
0.6395 Remote Similarity NPD8034 Phase 2
0.6338 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6267 Remote Similarity NPD6081 Approved
0.6265 Remote Similarity NPD7520 Clinical (unspecified phase)
0.625 Remote Similarity NPD7900 Approved
0.625 Remote Similarity NPD7748 Approved
0.625 Remote Similarity NPD7901 Clinical (unspecified phase)
0.623 Remote Similarity NPD384 Approved
0.623 Remote Similarity NPD385 Approved
0.6216 Remote Similarity NPD3698 Phase 2
0.6216 Remote Similarity NPD3725 Approved
0.6216 Remote Similarity NPD3726 Approved
0.6197 Remote Similarity NPD371 Approved
0.6154 Remote Similarity NPD4225 Approved
0.6133 Remote Similarity NPD2687 Approved
0.6133 Remote Similarity NPD2686 Approved
0.6133 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6133 Remote Similarity NPD2254 Approved
0.6133 Remote Similarity NPD4245 Approved
0.6133 Remote Similarity NPD4787 Phase 1
0.6133 Remote Similarity NPD4244 Approved
0.6125 Remote Similarity NPD7645 Phase 2
0.6111 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6098 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6081 Remote Similarity NPD5360 Phase 3
0.6081 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6061 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6049 Remote Similarity NPD6928 Phase 2
0.6044 Remote Similarity NPD7902 Approved
0.6024 Remote Similarity NPD3669 Approved
0.6024 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6023 Remote Similarity NPD7515 Phase 2
0.6 Remote Similarity NPD5330 Approved
0.6 Remote Similarity NPD7146 Approved
0.6 Remote Similarity NPD3671 Phase 1
0.6 Remote Similarity NPD6409 Approved
0.6 Remote Similarity NPD7334 Approved
0.6 Remote Similarity NPD6684 Approved
0.6 Remote Similarity NPD7521 Approved
0.6 Remote Similarity NPD367 Approved
0.5978 Remote Similarity NPD7638 Approved
0.5977 Remote Similarity NPD6051 Approved
0.5976 Remote Similarity NPD1780 Approved
0.5976 Remote Similarity NPD1779 Approved
0.5955 Remote Similarity NPD6399 Phase 3
0.593 Remote Similarity NPD3573 Approved
0.5921 Remote Similarity NPD4789 Approved
0.5914 Remote Similarity NPD7639 Approved
0.5914 Remote Similarity NPD7640 Approved
0.5873 Remote Similarity NPD2266 Phase 2
0.5862 Remote Similarity NPD6672 Approved
0.5862 Remote Similarity NPD5737 Approved
0.5862 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5862 Remote Similarity NPD6903 Approved
0.5854 Remote Similarity NPD7525 Registered
0.5844 Remote Similarity NPD4758 Discontinued
0.5789 Remote Similarity NPD7632 Discontinued
0.5773 Remote Similarity NPD7128 Approved
0.5773 Remote Similarity NPD6402 Approved
0.5773 Remote Similarity NPD6675 Approved
0.5773 Remote Similarity NPD5739 Approved
0.5763 Remote Similarity NPD1460 Approved
0.5714 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5697 Approved
0.5714 Remote Similarity NPD5701 Approved
0.5698 Remote Similarity NPD1694 Approved
0.5696 Remote Similarity NPD1811 Approved
0.5696 Remote Similarity NPD1810 Approved
0.5667 Remote Similarity NPD6411 Approved
0.5657 Remote Similarity NPD7320 Approved
0.5657 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5657 Remote Similarity NPD6899 Approved
0.5657 Remote Similarity NPD6881 Approved
0.5652 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5645 Remote Similarity NPD2699 Approved
0.5634 Remote Similarity NPD3198 Approved
0.5632 Remote Similarity NPD3618 Phase 1
0.5632 Remote Similarity NPD8308 Discontinued
0.5625 Remote Similarity NPD6125 Clinical (unspecified phase)
0.5612 Remote Similarity NPD6008 Approved
0.561 Remote Similarity NPD5364 Discontinued
0.5604 Remote Similarity NPD8171 Discontinued
0.56 Remote Similarity NPD6012 Approved
0.56 Remote Similarity NPD6373 Approved
0.56 Remote Similarity NPD4061 Clinical (unspecified phase)
0.56 Remote Similarity NPD6013 Approved
0.56 Remote Similarity NPD6014 Approved
0.56 Remote Similarity NPD8132 Clinical (unspecified phase)
0.56 Remote Similarity NPD6372 Approved

Structure

External Identifiers

PubChem CID   10591062
ChEMBL   CHEMBL463608
ZINC  

Physicochemical Properties

Molecular Weight:  310.21
ALogP:  0.3526
MLogP:  3
XLogP:  5.508
# Rotatable Bonds:  10
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  22

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Biological Activities  
Similar NPs/Drugs