Natural Product: NPC472947

Natural Product ID:  NPC472947
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H52O4
Standard InCHIKey:  TZNGZNFIMYBBEC-MKBBOFQQSA-N
Standard InCHI:  InChI=1S/C30H52O4/c1-23(15-11-16-25(3)18-19-26(31)28(4,5)32)13-9-10-14-24(2)17-12-21-30(8)22-20-27(34-30)29(6,7)33/h12-14,16,21,26-27,31-33H,9-11,15,17-20,22H2,1-8H3/b21-12+,23-13+,24-14+,25-16+/t26?,27-,30-/m0/s1
Canonical SMILES:  C/C(=CCC/C=C(/C/C=C/[C@@]1(C)CC[C@H](O1)C(O)(C)C)C)/CC/C=C(/CCC(C(O)(C)C)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
NPO33325 silphium laciniatum Species Asteraceae Eukaryota PMID[26287548]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 9000 nM 19075050

  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 NPC472947 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
0.8551 High Similarity NPC16964
0.8514 High Similarity NPC476701
0.8438 Intermediate Similarity NPC152438
0.8438 Intermediate Similarity NPC41180
0.8243 Intermediate Similarity NPC476703
0.8182 Intermediate Similarity NPC469694
0.8056 Intermediate Similarity NPC306085
0.7969 Intermediate Similarity NPC281590
0.7945 Intermediate Similarity NPC476709
0.7917 Intermediate Similarity NPC129630
0.7895 Intermediate Similarity NPC137345
0.7895 Intermediate Similarity NPC181838
0.7895 Intermediate Similarity NPC477089
0.7867 Intermediate Similarity NPC236228
0.7867 Intermediate Similarity NPC256720
0.7838 Intermediate Similarity NPC471525
0.7746 Intermediate Similarity NPC73603
0.7727 Intermediate Similarity NPC52012
0.7714 Intermediate Similarity NPC250836
0.7692 Intermediate Similarity NPC227135
0.7662 Intermediate Similarity NPC3852
0.7639 Intermediate Similarity NPC272961
0.7632 Intermediate Similarity NPC229655
0.7561 Intermediate Similarity NPC311163
0.7536 Intermediate Similarity NPC64971
0.75 Intermediate Similarity NPC193029
0.75 Intermediate Similarity NPC259299
0.75 Intermediate Similarity NPC12696
0.75 Intermediate Similarity NPC473357
0.75 Intermediate Similarity NPC133450
0.747 Intermediate Similarity NPC476948
0.7468 Intermediate Similarity NPC474592
0.7468 Intermediate Similarity NPC472948
0.7439 Intermediate Similarity NPC471494
0.7436 Intermediate Similarity NPC68119
0.7436 Intermediate Similarity NPC13823
0.7432 Intermediate Similarity NPC473361
0.7432 Intermediate Similarity NPC329904
0.7412 Intermediate Similarity NPC177668
0.7412 Intermediate Similarity NPC474761
0.7412 Intermediate Similarity NPC476004
0.7407 Intermediate Similarity NPC231601
0.7403 Intermediate Similarity NPC170148
0.7397 Intermediate Similarity NPC305698
0.7397 Intermediate Similarity NPC310210
0.7375 Intermediate Similarity NPC246621
0.7375 Intermediate Similarity NPC474894
0.7368 Intermediate Similarity NPC190859
0.7342 Intermediate Similarity NPC233295
0.7333 Intermediate Similarity NPC477086
0.7333 Intermediate Similarity NPC477087
0.7326 Intermediate Similarity NPC30515
0.7317 Intermediate Similarity NPC160517
0.7317 Intermediate Similarity NPC78673
0.7317 Intermediate Similarity NPC186155
0.7308 Intermediate Similarity NPC40049
0.7308 Intermediate Similarity NPC84360
0.7297 Intermediate Similarity NPC304690
0.7297 Intermediate Similarity NPC74722
0.7297 Intermediate Similarity NPC101622
0.7284 Intermediate Similarity NPC477385
0.7284 Intermediate Similarity NPC477390
0.726 Intermediate Similarity NPC82337
0.7246 Intermediate Similarity NPC475931
0.7246 Intermediate Similarity NPC143810
0.7246 Intermediate Similarity NPC278202
0.7246 Intermediate Similarity NPC83838
0.7237 Intermediate Similarity NPC477085
0.7229 Intermediate Similarity NPC298595
0.7229 Intermediate Similarity NPC11804
0.7222 Intermediate Similarity NPC473722
0.7209 Intermediate Similarity NPC51004
0.7209 Intermediate Similarity NPC473448
0.72 Intermediate Similarity NPC4299
0.7195 Intermediate Similarity NPC253801
0.7195 Intermediate Similarity NPC23748
0.7195 Intermediate Similarity NPC49208
0.7195 Intermediate Similarity NPC161045
0.7179 Intermediate Similarity NPC469880
0.7179 Intermediate Similarity NPC477202
0.7176 Intermediate Similarity NPC248312
0.716 Intermediate Similarity NPC5361
0.7159 Intermediate Similarity NPC256368
0.7159 Intermediate Similarity NPC472467
0.7143 Intermediate Similarity NPC61527
0.7143 Intermediate Similarity NPC258788
0.7143 Intermediate Similarity NPC127824
0.7143 Intermediate Similarity NPC474280
0.7143 Intermediate Similarity NPC107654
0.7126 Intermediate Similarity NPC184463
0.7125 Intermediate Similarity NPC291260
0.7125 Intermediate Similarity NPC471537
0.7125 Intermediate Similarity NPC86971
0.7123 Intermediate Similarity NPC267027
0.7101 Intermediate Similarity NPC181872
0.7101 Intermediate Similarity NPC23418
0.7093 Intermediate Similarity NPC473564
0.7093 Intermediate Similarity NPC307411
0.7089 Intermediate Similarity NPC474278
0.7089 Intermediate Similarity NPC476439
0.7089 Intermediate Similarity NPC477203
0.7079 Intermediate Similarity NPC107476
0.7079 Intermediate Similarity NPC36954
0.7073 Intermediate Similarity NPC472465
0.7073 Intermediate Similarity NPC11332
0.7073 Intermediate Similarity NPC475159
0.7073 Intermediate Similarity NPC329829
0.7073 Intermediate Similarity NPC145914
0.7073 Intermediate Similarity NPC473529
0.7073 Intermediate Similarity NPC65930
0.7073 Intermediate Similarity NPC73310
0.7073 Intermediate Similarity NPC180363
0.7073 Intermediate Similarity NPC473712
0.7073 Intermediate Similarity NPC131002
0.7073 Intermediate Similarity NPC473780
0.7073 Intermediate Similarity NPC94875
0.7067 Intermediate Similarity NPC239373
0.7067 Intermediate Similarity NPC329989
0.7059 Intermediate Similarity NPC248602
0.7059 Intermediate Similarity NPC179659
0.7045 Intermediate Similarity NPC179746
0.7045 Intermediate Similarity NPC475912
0.7045 Intermediate Similarity NPC476300
0.7045 Intermediate Similarity NPC81419
0.7042 Intermediate Similarity NPC55376
0.7027 Intermediate Similarity NPC163290
0.7024 Intermediate Similarity NPC137033
0.7024 Intermediate Similarity NPC21469
0.7024 Intermediate Similarity NPC470658
0.7024 Intermediate Similarity NPC322529
0.7013 Intermediate Similarity NPC143576
0.7011 Intermediate Similarity NPC472466
0.7011 Intermediate Similarity NPC3952
0.7 Intermediate Similarity NPC122239
0.7 Intermediate Similarity NPC326753
0.6988 Remote Similarity NPC263087
0.6988 Remote Similarity NPC31019
0.6988 Remote Similarity NPC11620
0.6988 Remote Similarity NPC144415
0.6988 Remote Similarity NPC106912
0.6988 Remote Similarity NPC27314
0.6988 Remote Similarity NPC44261
0.6988 Remote Similarity NPC250315
0.6988 Remote Similarity NPC2379
0.6988 Remote Similarity NPC474809
0.6988 Remote Similarity NPC471340
0.6986 Remote Similarity NPC308844
0.6986 Remote Similarity NPC471200
0.6977 Remote Similarity NPC153805
0.6977 Remote Similarity NPC202672
0.6977 Remote Similarity NPC227379
0.6977 Remote Similarity NPC474471
0.6966 Remote Similarity NPC81386
0.6966 Remote Similarity NPC474035
0.6962 Remote Similarity NPC268111
0.6962 Remote Similarity NPC329626
0.6962 Remote Similarity NPC293223
0.6951 Remote Similarity NPC112868
0.6951 Remote Similarity NPC471661
0.6941 Remote Similarity NPC477387
0.6941 Remote Similarity NPC309211
0.6941 Remote Similarity NPC472379
0.6941 Remote Similarity NPC477389
0.6941 Remote Similarity NPC69082
0.6941 Remote Similarity NPC279267
0.6933 Remote Similarity NPC273508
0.6933 Remote Similarity NPC209327
0.6932 Remote Similarity NPC12172
0.6932 Remote Similarity NPC472468
0.6932 Remote Similarity NPC476705
0.6932 Remote Similarity NPC208886
0.6923 Remote Similarity NPC474460
0.6923 Remote Similarity NPC26307
0.6923 Remote Similarity NPC315843
0.6914 Remote Similarity NPC477088
0.6914 Remote Similarity NPC475210
0.6914 Remote Similarity NPC139712
0.6905 Remote Similarity NPC83702
0.6905 Remote Similarity NPC163093
0.6905 Remote Similarity NPC156804
0.6905 Remote Similarity NPC475035
0.6905 Remote Similarity NPC266718
0.6905 Remote Similarity NPC474776
0.6905 Remote Similarity NPC474780
0.6905 Remote Similarity NPC9868
0.6901 Remote Similarity NPC154908
0.6901 Remote Similarity NPC226872
0.6901 Remote Similarity NPC158368
0.6901 Remote Similarity NPC252851
0.6897 Remote Similarity NPC104129
0.6897 Remote Similarity NPC97103
0.6897 Remote Similarity NPC299527
0.6897 Remote Similarity NPC49783
0.6897 Remote Similarity NPC115607
0.6897 Remote Similarity NPC477748
0.6897 Remote Similarity NPC249408
0.6892 Remote Similarity NPC137163
0.6892 Remote Similarity NPC311736
0.6889 Remote Similarity NPC270013
0.6889 Remote Similarity NPC476720

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472947 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
0.7011 Intermediate Similarity NPD7838 Discovery
0.686 Remote Similarity NPD7524 Approved
0.6629 Remote Similarity NPD6698 Approved
0.6629 Remote Similarity NPD46 Approved
0.662 Remote Similarity NPD585 Clinical (unspecified phase)
0.6588 Remote Similarity NPD6695 Phase 3
0.6575 Remote Similarity NPD368 Approved
0.6533 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6526 Remote Similarity NPD5344 Discontinued
0.6512 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7332 Phase 2
0.6429 Remote Similarity NPD7514 Phase 3
0.6375 Remote Similarity NPD4732 Discontinued
0.6374 Remote Similarity NPD7983 Approved
0.6341 Remote Similarity NPD6933 Approved
0.6316 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6308 Remote Similarity NPD4265 Approved
0.6292 Remote Similarity NPD7750 Discontinued
0.6275 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6265 Remote Similarity NPD6932 Approved
0.625 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6235 Remote Similarity NPD6931 Approved
0.6235 Remote Similarity NPD6930 Phase 2
0.6207 Remote Similarity NPD6110 Phase 1
0.6207 Remote Similarity NPD7154 Phase 3
0.62 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6197 Remote Similarity NPD342 Phase 1
0.619 Remote Similarity NPD7145 Approved
0.619 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6163 Remote Similarity NPD6902 Approved
0.6146 Remote Similarity NPD4225 Approved
0.6136 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6118 Remote Similarity NPD6929 Approved
0.6111 Remote Similarity NPD4251 Approved
0.6111 Remote Similarity NPD4250 Approved
0.6098 Remote Similarity NPD6924 Approved
0.6098 Remote Similarity NPD6926 Approved
0.6082 Remote Similarity NPD6648 Approved
0.6071 Remote Similarity NPD5776 Phase 2
0.6071 Remote Similarity NPD6925 Approved
0.6047 Remote Similarity NPD4821 Approved
0.6047 Remote Similarity NPD4820 Approved
0.6047 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6047 Remote Similarity NPD4819 Approved
0.6047 Remote Similarity NPD4822 Approved
0.6024 Remote Similarity NPD8264 Approved
0.6023 Remote Similarity NPD5362 Discontinued
0.6022 Remote Similarity NPD7637 Suspended
0.6022 Remote Similarity NPD7087 Discontinued
0.6019 Remote Similarity NPD6371 Approved
0.6 Remote Similarity NPD4249 Approved
0.6 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6 Remote Similarity NPD4246 Clinical (unspecified phase)
0.598 Remote Similarity NPD6686 Approved
0.5979 Remote Similarity NPD7638 Approved
0.5977 Remote Similarity NPD6898 Phase 1
0.5957 Remote Similarity NPD5779 Approved
0.5957 Remote Similarity NPD5778 Approved
0.5949 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5946 Remote Similarity NPD6109 Phase 1
0.5941 Remote Similarity NPD6640 Phase 3
0.5938 Remote Similarity NPD4792 Clinical (unspecified phase)
0.593 Remote Similarity NPD6683 Phase 2
0.5926 Remote Similarity NPD7144 Approved
0.5926 Remote Similarity NPD7143 Approved
0.5918 Remote Similarity NPD7639 Approved
0.5918 Remote Similarity NPD7640 Approved
0.5889 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5889 Remote Similarity NPD6893 Approved
0.5862 Remote Similarity NPD7525 Registered
0.5854 Remote Similarity NPD7150 Approved
0.5854 Remote Similarity NPD7151 Approved
0.5854 Remote Similarity NPD7152 Approved
0.5843 Remote Similarity NPD5332 Approved
0.5843 Remote Similarity NPD5331 Approved
0.5814 Remote Similarity NPD4271 Approved
0.5814 Remote Similarity NPD4268 Approved
0.5802 Remote Similarity NPD6922 Approved
0.5802 Remote Similarity NPD6923 Approved
0.5795 Remote Similarity NPD4790 Discontinued
0.5795 Remote Similarity NPD5369 Approved
0.5789 Remote Similarity NPD1145 Discontinued
0.5769 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5769 Remote Similarity NPD3197 Phase 1
0.5761 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5745 Remote Similarity NPD5785 Approved
0.573 Remote Similarity NPD4270 Approved
0.573 Remote Similarity NPD6435 Approved
0.573 Remote Similarity NPD4269 Approved
0.5729 Remote Similarity NPD5282 Discontinued
0.5682 Remote Similarity NPD7509 Discontinued
0.5682 Remote Similarity NPD4252 Approved
0.5676 Remote Similarity NPD4219 Approved
0.567 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5652 Remote Similarity NPD5786 Approved
0.5647 Remote Similarity NPD8039 Approved
0.5647 Remote Similarity NPD6942 Approved
0.5647 Remote Similarity NPD7339 Approved
0.5638 Remote Similarity NPD6051 Approved
0.5636 Remote Similarity NPD7327 Approved
0.5636 Remote Similarity NPD7328 Approved
0.5634 Remote Similarity NPD6927 Phase 3
0.5625 Remote Similarity NPD8517 Approved
0.5625 Remote Similarity NPD8516 Approved
0.5625 Remote Similarity NPD7503 Approved
0.5625 Remote Similarity NPD8515 Approved
0.5625 Remote Similarity NPD8513 Phase 3
0.5612 Remote Similarity NPD7839 Suspended

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3594167
ZINC  

Physicochemical Properties

Molecular Weight:  476.39
ALogP:  3.8098
MLogP:  4.32
XLogP:  6.642
# Rotatable Bonds:  25
Polar Surface Area:  69.92
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  34

Download Data

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