Natural Product: NPC476702

Natural Product ID:  NPC476702
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H34O5
Standard InCHIKey:  FWUKIAFAAFHKRT-NCSOOZNJSA-N
Standard InCHI:  InChI=1S/C20H34O5/c1-12(2)20-9-8-18(4,25-20)15-6-7-17(3,23-15)13(21)10-16-19(5,24-16)14(22)11-20/h12-16,21-22H,6-11H2,1-5H3/t13-,14+,15-,16-,17+,18+,19-,20-/m0/s1
Canonical SMILES:  CC([C@]12CC[C@](O2)(C)[C@@H]2CC[C@@](O2)([C@H](C[C@H]2[C@@]([C@@H](C1)O)(C)O2)O)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
NPO15315 Boswellia carterii Species Burseraceae Eukaryota Gum resin PMID[26457560]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Survival = 87 % 26457560

  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 NPC476702 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
0.8413 Intermediate Similarity NPC172622
0.8065 Intermediate Similarity NPC322148
0.8028 Intermediate Similarity NPC472952
0.8028 Intermediate Similarity NPC472950
0.7887 Intermediate Similarity NPC138273
0.7879 Intermediate Similarity NPC199937
0.7746 Intermediate Similarity NPC476709
0.7568 Intermediate Similarity NPC476703
0.75 Intermediate Similarity NPC472951
0.75 Intermediate Similarity NPC472943
0.7432 Intermediate Similarity NPC293223
0.7432 Intermediate Similarity NPC136424
0.7368 Intermediate Similarity NPC476701
0.7361 Intermediate Similarity NPC470173
0.7333 Intermediate Similarity NPC188793
0.7324 Intermediate Similarity NPC16964
0.7324 Intermediate Similarity NPC253123
0.7313 Intermediate Similarity NPC475807
0.7297 Intermediate Similarity NPC36479
0.7273 Intermediate Similarity NPC186594
0.7273 Intermediate Similarity NPC117137
0.7273 Intermediate Similarity NPC66766
0.7246 Intermediate Similarity NPC165069
0.7246 Intermediate Similarity NPC250836
0.7237 Intermediate Similarity NPC252483
0.7237 Intermediate Similarity NPC470014
0.7237 Intermediate Similarity NPC191345
0.7237 Intermediate Similarity NPC43463
0.72 Intermediate Similarity NPC107963
0.7179 Intermediate Similarity NPC473257
0.7164 Intermediate Similarity NPC475412
0.7162 Intermediate Similarity NPC470151
0.7143 Intermediate Similarity NPC81074
0.7143 Intermediate Similarity NPC477282
0.7125 Intermediate Similarity NPC18953
0.7123 Intermediate Similarity NPC306085
0.7105 Intermediate Similarity NPC64081
0.7105 Intermediate Similarity NPC11907
0.7105 Intermediate Similarity NPC133596
0.7105 Intermediate Similarity NPC476719
0.7105 Intermediate Similarity NPC474574
0.7089 Intermediate Similarity NPC475388
0.7089 Intermediate Similarity NPC216800
0.7067 Intermediate Similarity NPC228411
0.7051 Intermediate Similarity NPC16449
0.7051 Intermediate Similarity NPC186588
0.7042 Intermediate Similarity NPC179823
0.7042 Intermediate Similarity NPC477760
0.7042 Intermediate Similarity NPC477759
0.7042 Intermediate Similarity NPC477758
0.7042 Intermediate Similarity NPC477754
0.7042 Intermediate Similarity NPC477761
0.7027 Intermediate Similarity NPC248427
0.7013 Intermediate Similarity NPC477089
0.7013 Intermediate Similarity NPC3852
0.6988 Remote Similarity NPC470872
0.6974 Remote Similarity NPC470176
0.6974 Remote Similarity NPC329626
0.6974 Remote Similarity NPC279575
0.697 Remote Similarity NPC119425
0.6962 Remote Similarity NPC211049
0.6962 Remote Similarity NPC216941
0.6962 Remote Similarity NPC118116
0.6933 Remote Similarity NPC308489
0.6933 Remote Similarity NPC470630
0.6933 Remote Similarity NPC166250
0.6912 Remote Similarity NPC472026
0.6901 Remote Similarity NPC477764
0.6901 Remote Similarity NPC477752
0.6901 Remote Similarity NPC477756
0.6901 Remote Similarity NPC477751
0.6875 Remote Similarity NPC477447
0.6875 Remote Similarity NPC477446
0.6875 Remote Similarity NPC475849
0.6875 Remote Similarity NPC212340
0.6875 Remote Similarity NPC470155
0.6867 Remote Similarity NPC110365
0.6867 Remote Similarity NPC62202
0.6867 Remote Similarity NPC45833
0.6867 Remote Similarity NPC210658
0.6867 Remote Similarity NPC161928
0.6867 Remote Similarity NPC213658
0.6866 Remote Similarity NPC182903
0.6866 Remote Similarity NPC476209
0.686 Remote Similarity NPC475307
0.6842 Remote Similarity NPC91387
0.6842 Remote Similarity NPC270306
0.6842 Remote Similarity NPC231680
0.6829 Remote Similarity NPC235402
0.6825 Remote Similarity NPC474331
0.6806 Remote Similarity NPC286842
0.6806 Remote Similarity NPC469925
0.68 Remote Similarity NPC474100
0.68 Remote Similarity NPC473699
0.68 Remote Similarity NPC473775
0.68 Remote Similarity NPC475232
0.68 Remote Similarity NPC470659
0.68 Remote Similarity NPC470660
0.68 Remote Similarity NPC51249
0.68 Remote Similarity NPC143576
0.68 Remote Similarity NPC475260
0.6795 Remote Similarity NPC272841
0.6795 Remote Similarity NPC177343
0.6795 Remote Similarity NPC475616
0.679 Remote Similarity NPC474266
0.679 Remote Similarity NPC239308
0.6786 Remote Similarity NPC128475
0.6765 Remote Similarity NPC185116
0.6761 Remote Similarity NPC472946
0.6753 Remote Similarity NPC470174
0.6753 Remote Similarity NPC170148
0.675 Remote Similarity NPC119922
0.675 Remote Similarity NPC470154
0.675 Remote Similarity NPC470156
0.675 Remote Similarity NPC116320
0.6747 Remote Similarity NPC155531
0.6747 Remote Similarity NPC228593
0.6747 Remote Similarity NPC268633
0.6747 Remote Similarity NPC107603
0.6747 Remote Similarity NPC235196
0.6747 Remote Similarity NPC215968
0.6747 Remote Similarity NPC64862
0.6711 Remote Similarity NPC190859
0.6711 Remote Similarity NPC472945
0.6711 Remote Similarity NPC472944
0.6709 Remote Similarity NPC170595
0.6707 Remote Similarity NPC320824
0.6707 Remote Similarity NPC474156
0.6667 Remote Similarity NPC476233
0.6667 Remote Similarity NPC314364
0.6667 Remote Similarity NPC244002
0.6667 Remote Similarity NPC51662
0.6627 Remote Similarity NPC196911
0.6627 Remote Similarity NPC471379
0.6627 Remote Similarity NPC476715
0.6623 Remote Similarity NPC139765
0.6623 Remote Similarity NPC131584
0.6622 Remote Similarity NPC470833
0.662 Remote Similarity NPC314103
0.6591 Remote Similarity NPC30687
0.6588 Remote Similarity NPC471221
0.6588 Remote Similarity NPC476706
0.6588 Remote Similarity NPC476704
0.6588 Remote Similarity NPC476707
0.6588 Remote Similarity NPC476435
0.6585 Remote Similarity NPC231601
0.6585 Remote Similarity NPC29342
0.6585 Remote Similarity NPC470070
0.6585 Remote Similarity NPC2572
0.6585 Remote Similarity NPC260852
0.6585 Remote Similarity NPC477285
0.6585 Remote Similarity NPC111582
0.6582 Remote Similarity NPC137345
0.6582 Remote Similarity NPC181838
0.6582 Remote Similarity NPC471769
0.6579 Remote Similarity NPC123122
0.6579 Remote Similarity NPC476718
0.6575 Remote Similarity NPC33583
0.6575 Remote Similarity NPC161612
0.6567 Remote Similarity NPC170780
0.6567 Remote Similarity NPC148424
0.6552 Remote Similarity NPC59006
0.6552 Remote Similarity NPC473066
0.6552 Remote Similarity NPC469627
0.6548 Remote Similarity NPC471410
0.6548 Remote Similarity NPC474448
0.6548 Remote Similarity NPC472745
0.6548 Remote Similarity NPC471411
0.6548 Remote Similarity NPC279260
0.6548 Remote Similarity NPC477283
0.6543 Remote Similarity NPC77003
0.6538 Remote Similarity NPC470145
0.6533 Remote Similarity NPC471879
0.6522 Remote Similarity NPC470363
0.6522 Remote Similarity NPC475968
0.6512 Remote Similarity NPC82955
0.6512 Remote Similarity NPC228059
0.6512 Remote Similarity NPC161560
0.6508 Remote Similarity NPC82512
0.65 Remote Similarity NPC269333
0.6486 Remote Similarity NPC82315
0.6479 Remote Similarity NPC50435
0.6477 Remote Similarity NPC256104
0.6477 Remote Similarity NPC211845
0.6477 Remote Similarity NPC182740
0.6477 Remote Similarity NPC122083
0.6471 Remote Similarity NPC5943
0.6471 Remote Similarity NPC471377
0.6471 Remote Similarity NPC472396
0.6471 Remote Similarity NPC219040
0.6463 Remote Similarity NPC286719
0.6463 Remote Similarity NPC103171
0.6463 Remote Similarity NPC477286
0.6463 Remote Similarity NPC242771
0.6463 Remote Similarity NPC100366
0.6463 Remote Similarity NPC311642
0.6463 Remote Similarity NPC470611
0.6463 Remote Similarity NPC164289
0.6456 Remote Similarity NPC83108
0.6456 Remote Similarity NPC214030

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476702 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
0.7101 Intermediate Similarity NPD371 Approved
0.7077 Intermediate Similarity NPD2267 Suspended
0.6757 Remote Similarity NPD7532 Clinical (unspecified phase)
0.661 Remote Similarity NPD8957 Approved
0.6184 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6111 Remote Similarity NPD8171 Discontinued
0.6094 Remote Similarity NPD9139 Approved
0.6076 Remote Similarity NPD1810 Approved
0.6076 Remote Similarity NPD1811 Approved
0.6066 Remote Similarity NPD8958 Phase 2
0.6032 Remote Similarity NPD386 Approved
0.6032 Remote Similarity NPD388 Approved
0.6024 Remote Similarity NPD6928 Phase 2
0.6 Remote Similarity NPD7536 Approved
0.5968 Remote Similarity NPD9006 Approved
0.5946 Remote Similarity NPD7909 Approved
0.5938 Remote Similarity NPD384 Approved
0.5938 Remote Similarity NPD385 Approved
0.5909 Remote Similarity NPD7524 Approved
0.5889 Remote Similarity NPD7838 Discovery
0.5882 Remote Similarity NPD887 Approved
0.5882 Remote Similarity NPD895 Approved
0.5882 Remote Similarity NPD889 Approved
0.5882 Remote Similarity NPD894 Approved
0.5797 Remote Similarity NPD3730 Approved
0.5797 Remote Similarity NPD3728 Approved
0.5747 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5735 Remote Similarity NPD2269 Approved
0.5733 Remote Similarity NPD1457 Discontinued
0.5714 Remote Similarity NPD6698 Approved
0.5714 Remote Similarity NPD46 Approved
0.5696 Remote Similarity NPD2687 Approved
0.5696 Remote Similarity NPD2686 Approved
0.5696 Remote Similarity NPD2254 Approved
0.567 Remote Similarity NPD1700 Approved
0.567 Remote Similarity NPD5344 Discontinued
0.5657 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5657 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5632 Remote Similarity NPD6695 Phase 3
0.5625 Remote Similarity NPD9219 Approved
0.5625 Remote Similarity NPD9218 Clinical (unspecified phase)
0.5616 Remote Similarity NPD3198 Approved
0.56 Remote Similarity NPD7347 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3634657
ZINC  

Physicochemical Properties

Molecular Weight:  354.24
ALogP:  -0.3863
MLogP:  3.11
XLogP:  2.149
# Rotatable Bonds:  8
Polar Surface Area:  71.45
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  25

Download Data

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