Natural Product: NPC472075

Natural Product ID:  NPC472075
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C35H54O10
Standard InCHIKey:  GZTBZPSVFLQPMS-FXDNHWGZSA-N
Standard InCHI:  InChI=1S/C35H54O10/c1-18(14-21(36)29(41)32(4,5)42)26-22(37)16-34(7)20-8-9-24-31(2,3)25(45-30-28(40)27(39)23(38)17-44-30)11-13-35(24,43)15-19(20)10-12-33(26,34)6/h8,10,18,23-30,38-43H,9,11-17H2,1-7H3/t18-,23-,24+,25+,26+,27+,28-,29+,30+,33-,34+,35+/m1/s1
Canonical SMILES:  O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C1C(=CC[C@]3([C@@]1(C)CC(=O)[C@@H]3[C@@H](CC(=O)[C@@H](C(O)(C)C)O)C)C)C2)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
NPO31564 Cimicifuga foetida NA NA NA Rhizomes PMID[25136911]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 10000 nM 12088423
NPT165 Cell Line HeLa Homo sapiens IC50 > 10000 nM 1791472
NPT2 Others Unspecified IC50 > 10000 nM 25856683
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 22037378

  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 NPC472075 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 NPC472076
0.9735 High Similarity NPC472077
0.9735 High Similarity NPC472078
0.885 High Similarity NPC130427
0.8696 High Similarity NPC474557
0.8696 High Similarity NPC116024
0.8673 High Similarity NPC154856
0.8673 High Similarity NPC52241
0.8673 High Similarity NPC475317
0.8644 High Similarity NPC472257
0.8596 High Similarity NPC292196
0.8522 High Similarity NPC210420
0.8522 High Similarity NPC474265
0.8487 Intermediate Similarity NPC471406
0.8421 Intermediate Similarity NPC265655
0.8376 Intermediate Similarity NPC473882
0.8348 Intermediate Similarity NPC129340
0.8333 Intermediate Similarity NPC195708
0.8319 Intermediate Similarity NPC210178
0.8319 Intermediate Similarity NPC86020
0.8319 Intermediate Similarity NPC475632
0.8305 Intermediate Similarity NPC473126
0.8305 Intermediate Similarity NPC279638
0.8291 Intermediate Similarity NPC251309
0.8291 Intermediate Similarity NPC260665
0.8276 Intermediate Similarity NPC263827
0.8276 Intermediate Similarity NPC250481
0.8276 Intermediate Similarity NPC285410
0.8261 Intermediate Similarity NPC477070
0.8261 Intermediate Similarity NPC477069
0.8261 Intermediate Similarity NPC218853
0.8261 Intermediate Similarity NPC118225
0.822 Intermediate Similarity NPC475163
0.822 Intermediate Similarity NPC74727
0.822 Intermediate Similarity NPC220293
0.8211 Intermediate Similarity NPC130229
0.8205 Intermediate Similarity NPC233003
0.819 Intermediate Similarity NPC101450
0.819 Intermediate Similarity NPC250956
0.8182 Intermediate Similarity NPC475187
0.8174 Intermediate Similarity NPC295389
0.8167 Intermediate Similarity NPC473617
0.8167 Intermediate Similarity NPC239293
0.8167 Intermediate Similarity NPC473828
0.8158 Intermediate Similarity NPC63023
0.8158 Intermediate Similarity NPC95243
0.8158 Intermediate Similarity NPC162033
0.8136 Intermediate Similarity NPC200944
0.8136 Intermediate Similarity NPC73455
0.812 Intermediate Similarity NPC477073
0.812 Intermediate Similarity NPC269466
0.8103 Intermediate Similarity NPC246205
0.8087 Intermediate Similarity NPC293512
0.807 Intermediate Similarity NPC121566
0.807 Intermediate Similarity NPC100955
0.807 Intermediate Similarity NPC223741
0.8065 Intermediate Similarity NPC475194
0.8065 Intermediate Similarity NPC476674
0.8051 Intermediate Similarity NPC174836
0.8049 Intermediate Similarity NPC156789
0.8049 Intermediate Similarity NPC216866
0.8034 Intermediate Similarity NPC242611
0.8034 Intermediate Similarity NPC90630
0.8034 Intermediate Similarity NPC475243
0.8018 Intermediate Similarity NPC472074
0.8018 Intermediate Similarity NPC472073
0.8017 Intermediate Similarity NPC258323
0.8017 Intermediate Similarity NPC234522
0.8017 Intermediate Similarity NPC45475
0.8 Intermediate Similarity NPC174367
0.8 Intermediate Similarity NPC31797
0.8 Intermediate Similarity NPC244127
0.8 Intermediate Similarity NPC476673
0.8 Intermediate Similarity NPC475494
0.8 Intermediate Similarity NPC47113
0.8 Intermediate Similarity NPC198714
0.7984 Intermediate Similarity NPC1980
0.7984 Intermediate Similarity NPC141196
0.7984 Intermediate Similarity NPC160084
0.7984 Intermediate Similarity NPC238005
0.7984 Intermediate Similarity NPC41129
0.7983 Intermediate Similarity NPC75167
0.7983 Intermediate Similarity NPC477074
0.7983 Intermediate Similarity NPC477944
0.7983 Intermediate Similarity NPC311592
0.7969 Intermediate Similarity NPC473805
0.7969 Intermediate Similarity NPC473519
0.7967 Intermediate Similarity NPC476544
0.7967 Intermediate Similarity NPC475182
0.7967 Intermediate Similarity NPC476543
0.7967 Intermediate Similarity NPC75417
0.7967 Intermediate Similarity NPC202051
0.7967 Intermediate Similarity NPC476545
0.7966 Intermediate Similarity NPC31839
0.7966 Intermediate Similarity NPC190837
0.7966 Intermediate Similarity NPC272242
0.7953 Intermediate Similarity NPC476966
0.7953 Intermediate Similarity NPC471407
0.7951 Intermediate Similarity NPC477071
0.7949 Intermediate Similarity NPC8431
0.7949 Intermediate Similarity NPC475364
0.792 Intermediate Similarity NPC30188
0.792 Intermediate Similarity NPC473474
0.792 Intermediate Similarity NPC248202
0.792 Intermediate Similarity NPC177820
0.7917 Intermediate Similarity NPC181145
0.7917 Intermediate Similarity NPC477580
0.7917 Intermediate Similarity NPC165439
0.7913 Intermediate Similarity NPC470885
0.7913 Intermediate Similarity NPC221562
0.7913 Intermediate Similarity NPC187400
0.7907 Intermediate Similarity NPC102015
0.7903 Intermediate Similarity NPC275343
0.7903 Intermediate Similarity NPC28532
0.7899 Intermediate Similarity NPC125923
0.7899 Intermediate Similarity NPC65590
0.7899 Intermediate Similarity NPC100383
0.7899 Intermediate Similarity NPC80843
0.7899 Intermediate Similarity NPC64106
0.7899 Intermediate Similarity NPC243572
0.7899 Intermediate Similarity NPC48249
0.7899 Intermediate Similarity NPC37739
0.7899 Intermediate Similarity NPC1046
0.7899 Intermediate Similarity NPC212968
0.7899 Intermediate Similarity NPC46388
0.7899 Intermediate Similarity NPC161434
0.7899 Intermediate Similarity NPC195132
0.7899 Intermediate Similarity NPC470543
0.7895 Intermediate Similarity NPC473788
0.7895 Intermediate Similarity NPC136816
0.7895 Intermediate Similarity NPC475558
0.7891 Intermediate Similarity NPC173347
0.7886 Intermediate Similarity NPC129393
0.7886 Intermediate Similarity NPC476849
0.7881 Intermediate Similarity NPC27551
0.7881 Intermediate Similarity NPC114961
0.7881 Intermediate Similarity NPC274507
0.7881 Intermediate Similarity NPC470065
0.7879 Intermediate Similarity NPC477232
0.7879 Intermediate Similarity NPC477233
0.7874 Intermediate Similarity NPC293623
0.7874 Intermediate Similarity NPC188291
0.7874 Intermediate Similarity NPC69273
0.7874 Intermediate Similarity NPC311534
0.7874 Intermediate Similarity NPC168899
0.7874 Intermediate Similarity NPC245094
0.7869 Intermediate Similarity NPC286347
0.7869 Intermediate Similarity NPC188667
0.7869 Intermediate Similarity NPC204552
0.7869 Intermediate Similarity NPC297179
0.7863 Intermediate Similarity NPC476123
0.7863 Intermediate Similarity NPC28198
0.7863 Intermediate Similarity NPC284807
0.7863 Intermediate Similarity NPC177246
0.7857 Intermediate Similarity NPC104427
0.7857 Intermediate Similarity NPC181066
0.7857 Intermediate Similarity NPC222307
0.7857 Intermediate Similarity NPC469947
0.7846 Intermediate Similarity NPC478069
0.7845 Intermediate Similarity NPC473199
0.784 Intermediate Similarity NPC476542
0.7833 Intermediate Similarity NPC189884
0.7833 Intermediate Similarity NPC269315
0.7833 Intermediate Similarity NPC293038
0.7833 Intermediate Similarity NPC238935
0.7833 Intermediate Similarity NPC62696
0.7833 Intermediate Similarity NPC178981
0.7833 Intermediate Similarity NPC73986
0.7833 Intermediate Similarity NPC47063
0.7833 Intermediate Similarity NPC475208
0.7833 Intermediate Similarity NPC204458
0.7833 Intermediate Similarity NPC102619
0.7833 Intermediate Similarity NPC271138
0.7833 Intermediate Similarity NPC138334
0.7829 Intermediate Similarity NPC231240
0.7829 Intermediate Similarity NPC471855
0.7823 Intermediate Similarity NPC476675
0.7823 Intermediate Similarity NPC476672
0.7823 Intermediate Similarity NPC42675
0.7823 Intermediate Similarity NPC129434
0.7815 Intermediate Similarity NPC471243
0.7815 Intermediate Similarity NPC191763
0.7815 Intermediate Similarity NPC211798
0.7815 Intermediate Similarity NPC11035
0.7815 Intermediate Similarity NPC297208
0.7815 Intermediate Similarity NPC108748
0.7815 Intermediate Similarity NPC235841
0.7815 Intermediate Similarity NPC30397
0.7815 Intermediate Similarity NPC473481
0.7815 Intermediate Similarity NPC274833
0.7807 Intermediate Similarity NPC88000
0.7807 Intermediate Similarity NPC267510
0.7807 Intermediate Similarity NPC472023
0.7807 Intermediate Similarity NPC4831
0.7807 Intermediate Similarity NPC160734
0.7807 Intermediate Similarity NPC129372
0.7807 Intermediate Similarity NPC309425
0.7807 Intermediate Similarity NPC47566
0.7805 Intermediate Similarity NPC475171
0.7805 Intermediate Similarity NPC157868

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472075 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
0.7903 Intermediate Similarity NPD6370 Approved
0.7795 Intermediate Similarity NPD8293 Discontinued
0.7778 Intermediate Similarity NPD6412 Phase 2
0.7742 Intermediate Similarity NPD6054 Approved
0.7742 Intermediate Similarity NPD6059 Approved
0.7734 Intermediate Similarity NPD7736 Approved
0.7698 Intermediate Similarity NPD8328 Phase 3
0.7642 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD6016 Approved
0.754 Intermediate Similarity NPD6015 Approved
0.75 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7492 Approved
0.748 Intermediate Similarity NPD5988 Approved
0.746 Intermediate Similarity NPD6319 Approved
0.7459 Intermediate Similarity NPD8297 Approved
0.7459 Intermediate Similarity NPD6882 Approved
0.7442 Intermediate Similarity NPD6616 Approved
0.7405 Intermediate Similarity NPD7319 Approved
0.7385 Intermediate Similarity NPD7078 Approved
0.7308 Intermediate Similarity NPD7507 Approved
0.7266 Intermediate Similarity NPD8516 Approved
0.7266 Intermediate Similarity NPD8513 Phase 3
0.7266 Intermediate Similarity NPD8515 Approved
0.7266 Intermediate Similarity NPD8517 Approved
0.7258 Intermediate Similarity NPD8133 Approved
0.725 Intermediate Similarity NPD6675 Approved
0.725 Intermediate Similarity NPD7128 Approved
0.725 Intermediate Similarity NPD6402 Approved
0.725 Intermediate Similarity NPD5739 Approved
0.7222 Intermediate Similarity NPD6009 Approved
0.7213 Intermediate Similarity NPD6372 Approved
0.7213 Intermediate Similarity NPD6373 Approved
0.7197 Intermediate Similarity NPD6033 Approved
0.7165 Intermediate Similarity NPD7327 Approved
0.7165 Intermediate Similarity NPD7328 Approved
0.7154 Intermediate Similarity NPD4634 Approved
0.7132 Intermediate Similarity NPD8033 Approved
0.7132 Intermediate Similarity NPD7503 Approved
0.7131 Intermediate Similarity NPD6686 Approved
0.7131 Intermediate Similarity NPD7320 Approved
0.7131 Intermediate Similarity NPD6899 Approved
0.7131 Intermediate Similarity NPD6881 Approved
0.712 Intermediate Similarity NPD4632 Approved
0.7109 Intermediate Similarity NPD7516 Approved
0.7097 Intermediate Similarity NPD6650 Approved
0.7097 Intermediate Similarity NPD8130 Phase 1
0.7097 Intermediate Similarity NPD6649 Approved
0.7094 Intermediate Similarity NPD4755 Approved
0.7087 Intermediate Similarity NPD7115 Discovery
0.7054 Intermediate Similarity NPD8294 Approved
0.7054 Intermediate Similarity NPD8377 Approved
0.7049 Intermediate Similarity NPD5701 Approved
0.7049 Intermediate Similarity NPD5697 Approved
0.7043 Intermediate Similarity NPD6399 Phase 3
0.7016 Intermediate Similarity NPD7290 Approved
0.7016 Intermediate Similarity NPD7102 Approved
0.7016 Intermediate Similarity NPD6883 Approved
0.7 Intermediate Similarity NPD8296 Approved
0.7 Intermediate Similarity NPD8378 Approved
0.7 Intermediate Similarity NPD8335 Approved
0.7 Intermediate Similarity NPD8380 Approved
0.7 Intermediate Similarity NPD8379 Approved
0.6992 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5286 Approved
0.6975 Remote Similarity NPD4700 Approved
0.6975 Remote Similarity NPD4696 Approved
0.6975 Remote Similarity NPD5285 Approved
0.696 Remote Similarity NPD6617 Approved
0.696 Remote Similarity NPD6869 Approved
0.696 Remote Similarity NPD6847 Approved
0.6949 Remote Similarity NPD6084 Phase 2
0.6949 Remote Similarity NPD6083 Phase 2
0.6937 Remote Similarity NPD4786 Approved
0.6935 Remote Similarity NPD6012 Approved
0.6935 Remote Similarity NPD6013 Approved
0.6935 Remote Similarity NPD6014 Approved
0.6894 Remote Similarity NPD6067 Discontinued
0.6891 Remote Similarity NPD5696 Approved
0.686 Remote Similarity NPD5225 Approved
0.686 Remote Similarity NPD4633 Approved
0.686 Remote Similarity NPD5226 Approved
0.686 Remote Similarity NPD5224 Approved
0.686 Remote Similarity NPD5211 Phase 2
0.6855 Remote Similarity NPD6011 Approved
0.6829 Remote Similarity NPD4768 Approved
0.6829 Remote Similarity NPD4767 Approved
0.6825 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6814 Remote Similarity NPD5279 Phase 3
0.681 Remote Similarity NPD6411 Approved
0.6803 Remote Similarity NPD5175 Approved
0.6803 Remote Similarity NPD5174 Approved
0.6783 Remote Similarity NPD4753 Phase 2
0.6783 Remote Similarity NPD5328 Approved
0.678 Remote Similarity NPD5210 Approved
0.678 Remote Similarity NPD5695 Phase 3
0.678 Remote Similarity NPD4629 Approved
0.6777 Remote Similarity NPD5223 Approved
0.6767 Remote Similarity NPD7604 Phase 2
0.6757 Remote Similarity NPD3667 Approved
0.6752 Remote Similarity NPD4202 Approved
0.6748 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6748 Remote Similarity NPD5141 Approved
0.6742 Remote Similarity NPD5983 Phase 2
0.6741 Remote Similarity NPD8074 Phase 3
0.6723 Remote Similarity NPD5221 Approved
0.6723 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6723 Remote Similarity NPD5222 Approved
0.6723 Remote Similarity NPD4697 Phase 3
0.672 Remote Similarity NPD4730 Approved
0.672 Remote Similarity NPD4729 Approved
0.6715 Remote Similarity NPD5956 Approved
0.6667 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD5173 Approved
0.6667 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD3618 Phase 1
0.6667 Remote Similarity NPD6079 Approved
0.6638 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6638 Remote Similarity NPD6101 Approved
0.6619 Remote Similarity NPD8338 Approved
0.6615 Remote Similarity NPD6274 Approved
0.6614 Remote Similarity NPD5249 Phase 3
0.6614 Remote Similarity NPD5247 Approved
0.6614 Remote Similarity NPD5251 Approved
0.6614 Remote Similarity NPD5250 Approved
0.6614 Remote Similarity NPD5248 Approved
0.6591 Remote Similarity NPD7100 Approved
0.6591 Remote Similarity NPD7101 Approved
0.6587 Remote Similarity NPD5128 Approved
0.6569 Remote Similarity NPD8337 Approved
0.6569 Remote Similarity NPD8336 Approved
0.6562 Remote Similarity NPD8413 Clinical (unspecified phase)
0.656 Remote Similarity NPD6008 Approved
0.6555 Remote Similarity NPD7748 Approved
0.6552 Remote Similarity NPD6672 Approved
0.6552 Remote Similarity NPD5737 Approved
0.6547 Remote Similarity NPD7260 Phase 2
0.6535 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6529 Remote Similarity NPD7902 Approved
0.6525 Remote Similarity NPD6050 Approved
0.6525 Remote Similarity NPD8035 Phase 2
0.6525 Remote Similarity NPD8034 Phase 2
0.6522 Remote Similarity NPD5280 Approved
0.6522 Remote Similarity NPD4694 Approved
0.6515 Remote Similarity NPD6335 Approved
0.6493 Remote Similarity NPD6909 Approved
0.6493 Remote Similarity NPD6921 Approved
0.6493 Remote Similarity NPD6908 Approved
0.6475 Remote Similarity NPD7638 Approved
0.6466 Remote Similarity NPD7524 Approved
0.6441 Remote Similarity NPD5692 Phase 3
0.6439 Remote Similarity NPD6317 Approved
0.6435 Remote Similarity NPD5329 Approved
0.6434 Remote Similarity NPD5215 Approved
0.6434 Remote Similarity NPD5216 Approved
0.6434 Remote Similarity NPD5217 Approved
0.6429 Remote Similarity NPD7525 Registered
0.6423 Remote Similarity NPD7639 Approved
0.6423 Remote Similarity NPD7640 Approved
0.6417 Remote Similarity NPD5282 Discontinued
0.6391 Remote Similarity NPD6313 Approved
0.6391 Remote Similarity NPD6314 Approved
0.6387 Remote Similarity NPD5284 Approved
0.6387 Remote Similarity NPD7515 Phase 2
0.6387 Remote Similarity NPD5281 Approved
0.6387 Remote Similarity NPD7637 Suspended
0.6387 Remote Similarity NPD7983 Approved
0.6387 Remote Similarity NPD5694 Approved
0.6379 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6098 Approved
0.6378 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6868 Approved
0.6357 Remote Similarity NPD5135 Approved
0.6357 Remote Similarity NPD5169 Approved
0.6357 Remote Similarity NPD6371 Approved
0.6357 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6357 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6356 Remote Similarity NPD6673 Approved
0.6356 Remote Similarity NPD6080 Approved
0.6356 Remote Similarity NPD6904 Approved
0.6348 Remote Similarity NPD3133 Approved
0.6348 Remote Similarity NPD3666 Approved
0.6348 Remote Similarity NPD3668 Phase 3
0.6348 Remote Similarity NPD4197 Approved
0.6348 Remote Similarity NPD3665 Phase 1
0.6348 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6343 Remote Similarity NPD4522 Approved
0.6341 Remote Similarity NPD4225 Approved
0.6333 Remote Similarity NPD5779 Approved
0.6333 Remote Similarity NPD5778 Approved
0.6308 Remote Similarity NPD5127 Approved
0.6293 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6281 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6281 Remote Similarity NPD7900 Approved
0.628 Remote Similarity NPD7799 Discontinued
0.6268 Remote Similarity NPD6845 Suspended
0.6261 Remote Similarity NPD6695 Phase 3
0.626 Remote Similarity NPD6053 Discontinued
0.625 Remote Similarity NPD8274 Clinical (unspecified phase)
0.625 Remote Similarity NPD8444 Approved
0.625 Remote Similarity NPD6291 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3337544
ZINC  

Physicochemical Properties

Molecular Weight:  634.37
ALogP:  -0.8039
MLogP:  4.21
XLogP:  1.737
# Rotatable Bonds:  20
Polar Surface Area:  173.98
# H-Bond Aceptor:  10
# H-Bond Donor:  6
# Rings:  5
# Heavy Atoms:  45

Download Data

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