Natural Product: NPC472274

Natural Product ID:  NPC472274
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H40O9
Standard InCHIKey:  KMTDKRRUMIWTKB-QVWXXIMOSA-N
Standard InCHI:  InChI=1S/C26H40O9/c1-24-6-3-7-25(2,23(33)35-22-21(32)20(31)19(30)15(12-28)34-22)17(24)8-18(29)26-9-13(4-5-16(24)26)14(10-26)11-27/h10,13,15-22,27-32H,3-9,11-12H2,1-2H3/t13-,15-,16+,17+,18+,19-,20+,21-,22+,24+,25-,26-/m1/s1
Canonical SMILES:  OCC1=C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](C[C@@H]2O)[C@@](C)(CCC1)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)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
NPO6333 Annona glabra Species Annonaceae Eukaryota fruits PMID[25499882]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 10 nM DrugMatrix in vivo data: Pathology
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 90 % 14611845

  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 NPC472274 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
0.9107 High Similarity NPC122971
0.8981 High Similarity NPC143706
0.8981 High Similarity NPC472534
0.8947 High Similarity NPC202051
0.8919 High Similarity NPC475633
0.8919 High Similarity NPC470919
0.8919 High Similarity NPC469877
0.8909 High Similarity NPC174836
0.8909 High Similarity NPC302146
0.8899 High Similarity NPC274507
0.8839 High Similarity NPC259306
0.8839 High Similarity NPC474046
0.8839 High Similarity NPC470628
0.8818 High Similarity NPC285410
0.8818 High Similarity NPC473481
0.8818 High Similarity NPC108748
0.8818 High Similarity NPC250481
0.8818 High Similarity NPC235841
0.8818 High Similarity NPC30397
0.8818 High Similarity NPC263827
0.8818 High Similarity NPC297208
0.8818 High Similarity NPC191763
0.8818 High Similarity NPC211798
0.8807 High Similarity NPC306746
0.8807 High Similarity NPC137917
0.8807 High Similarity NPC167383
0.8807 High Similarity NPC237503
0.8807 High Similarity NPC204407
0.8807 High Similarity NPC57362
0.8796 High Similarity NPC293512
0.8793 High Similarity NPC27363
0.8761 High Similarity NPC473968
0.8761 High Similarity NPC471547
0.875 High Similarity NPC181145
0.875 High Similarity NPC220293
0.8739 High Similarity NPC128925
0.8739 High Similarity NPC256798
0.8739 High Similarity NPC37739
0.8739 High Similarity NPC116794
0.8739 High Similarity NPC46388
0.8727 High Similarity NPC7870
0.8727 High Similarity NPC476887
0.8727 High Similarity NPC270667
0.8727 High Similarity NPC199457
0.8727 High Similarity NPC269095
0.8727 High Similarity NPC108709
0.8727 High Similarity NPC220984
0.8727 High Similarity NPC59804
0.8727 High Similarity NPC29069
0.8727 High Similarity NPC476886
0.8727 High Similarity NPC475296
0.8727 High Similarity NPC75747
0.8727 High Similarity NPC279554
0.8727 High Similarity NPC476880
0.8727 High Similarity NPC476884
0.8727 High Similarity NPC136877
0.8727 High Similarity NPC56713
0.8727 High Similarity NPC78046
0.8727 High Similarity NPC83005
0.8727 High Similarity NPC68419
0.8727 High Similarity NPC470065
0.8727 High Similarity NPC90856
0.8727 High Similarity NPC476883
0.8727 High Similarity NPC476882
0.8727 High Similarity NPC476881
0.8727 High Similarity NPC476885
0.8727 High Similarity NPC474589
0.8727 High Similarity NPC102914
0.8727 High Similarity NPC127056
0.8727 High Similarity NPC164194
0.8727 High Similarity NPC110139
0.8727 High Similarity NPC174679
0.8727 High Similarity NPC129340
0.8716 High Similarity NPC284807
0.8716 High Similarity NPC177246
0.8716 High Similarity NPC295389
0.8716 High Similarity NPC28198
0.8716 High Similarity NPC476123
0.8696 High Similarity NPC470312
0.8684 High Similarity NPC18233
0.8684 High Similarity NPC276758
0.8661 High Similarity NPC62696
0.8661 High Similarity NPC138334
0.8661 High Similarity NPC189884
0.8661 High Similarity NPC204458
0.8661 High Similarity NPC47063
0.8661 High Similarity NPC124296
0.8661 High Similarity NPC269315
0.8661 High Similarity NPC311592
0.8661 High Similarity NPC258885
0.8661 High Similarity NPC293038
0.8661 High Similarity NPC251309
0.8661 High Similarity NPC75167
0.8661 High Similarity NPC271138
0.8649 High Similarity NPC31839
0.8649 High Similarity NPC179434
0.8649 High Similarity NPC190837
0.8649 High Similarity NPC164419
0.8644 High Similarity NPC250556
0.8644 High Similarity NPC469750
0.8636 High Similarity NPC127853
0.8636 High Similarity NPC265655
0.8636 High Similarity NPC218853
0.8636 High Similarity NPC118225
0.8624 High Similarity NPC283849
0.8624 High Similarity NPC473538
0.8611 High Similarity NPC470768
0.8609 High Similarity NPC477071
0.8596 High Similarity NPC473405
0.8596 High Similarity NPC474483
0.8596 High Similarity NPC309433
0.8584 High Similarity NPC473882
0.8584 High Similarity NPC102088
0.8571 High Similarity NPC139894
0.8571 High Similarity NPC65590
0.8571 High Similarity NPC471967
0.8571 High Similarity NPC102439
0.8571 High Similarity NPC240070
0.8571 High Similarity NPC324875
0.8571 High Similarity NPC104400
0.8571 High Similarity NPC475516
0.8571 High Similarity NPC104071
0.8571 High Similarity NPC473383
0.8571 High Similarity NPC471356
0.8571 High Similarity NPC276093
0.8571 High Similarity NPC117702
0.8571 High Similarity NPC329784
0.8571 High Similarity NPC212968
0.8571 High Similarity NPC471383
0.8571 High Similarity NPC146456
0.8571 High Similarity NPC257468
0.8571 High Similarity NPC101744
0.8571 High Similarity NPC475504
0.8571 High Similarity NPC233003
0.8571 High Similarity NPC1046
0.8571 High Similarity NPC469757
0.8571 High Similarity NPC179412
0.8571 High Similarity NPC473373
0.8571 High Similarity NPC471357
0.8571 High Similarity NPC161434
0.8571 High Similarity NPC79718
0.8571 High Similarity NPC64106
0.8571 High Similarity NPC80843
0.8571 High Similarity NPC292677
0.8571 High Similarity NPC139044
0.8571 High Similarity NPC109079
0.8571 High Similarity NPC10320
0.8571 High Similarity NPC195132
0.8571 High Similarity NPC469946
0.8571 High Similarity NPC48249
0.8571 High Similarity NPC125923
0.8559 High Similarity NPC475317
0.8559 High Similarity NPC154856
0.8559 High Similarity NPC52241
0.8559 High Similarity NPC242611
0.8559 High Similarity NPC318135
0.8547 High Similarity NPC28532
0.8545 High Similarity NPC285576
0.8545 High Similarity NPC88744
0.8545 High Similarity NPC195708
0.8545 High Similarity NPC230888
0.8534 High Similarity NPC472257
0.8534 High Similarity NPC268184
0.8534 High Similarity NPC129393
0.8532 High Similarity NPC470055
0.8532 High Similarity NPC470056
0.8532 High Similarity NPC472899
0.8532 High Similarity NPC473199
0.8532 High Similarity NPC475611
0.8532 High Similarity NPC472900
0.8532 High Similarity NPC472898
0.8522 High Similarity NPC239293
0.8522 High Similarity NPC473617
0.8522 High Similarity NPC471548
0.8522 High Similarity NPC286347
0.8522 High Similarity NPC473828
0.8519 High Similarity NPC473198
0.8509 High Similarity NPC474734
0.8509 High Similarity NPC471384
0.8509 High Similarity NPC58448
0.8509 High Similarity NPC244127
0.8509 High Similarity NPC160415
0.8509 High Similarity NPC161674
0.85 High Similarity NPC311534
0.8496 Intermediate Similarity NPC114304
0.8496 Intermediate Similarity NPC150400
0.8496 Intermediate Similarity NPC96641
0.8496 Intermediate Similarity NPC157441
0.8496 Intermediate Similarity NPC174720
0.8496 Intermediate Similarity NPC295823
0.8496 Intermediate Similarity NPC51978
0.8496 Intermediate Similarity NPC473826
0.8496 Intermediate Similarity NPC241909
0.8496 Intermediate Similarity NPC73318
0.8496 Intermediate Similarity NPC46665
0.8496 Intermediate Similarity NPC163183
0.8496 Intermediate Similarity NPC323341
0.8496 Intermediate Similarity NPC134835
0.8496 Intermediate Similarity NPC473343
0.8496 Intermediate Similarity NPC251263

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472274 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
0.8644 High Similarity NPD7507 Approved
0.843 Intermediate Similarity NPD7319 Approved
0.8378 Intermediate Similarity NPD6686 Approved
0.8276 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.8167 Intermediate Similarity NPD8328 Phase 3
0.8142 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD6412 Phase 2
0.8051 Intermediate Similarity NPD7328 Approved
0.8051 Intermediate Similarity NPD7327 Approved
0.8017 Intermediate Similarity NPD8133 Approved
0.8 Intermediate Similarity NPD8033 Approved
0.7983 Intermediate Similarity NPD7516 Approved
0.7917 Intermediate Similarity NPD8377 Approved
0.7917 Intermediate Similarity NPD8294 Approved
0.7851 Intermediate Similarity NPD8379 Approved
0.7851 Intermediate Similarity NPD8296 Approved
0.7851 Intermediate Similarity NPD8517 Approved
0.7851 Intermediate Similarity NPD8516 Approved
0.7851 Intermediate Similarity NPD8513 Phase 3
0.7851 Intermediate Similarity NPD8378 Approved
0.7851 Intermediate Similarity NPD8335 Approved
0.7851 Intermediate Similarity NPD8380 Approved
0.7851 Intermediate Similarity NPD8515 Approved
0.776 Intermediate Similarity NPD7736 Approved
0.7748 Intermediate Similarity NPD7640 Approved
0.7748 Intermediate Similarity NPD7639 Approved
0.7658 Intermediate Similarity NPD7638 Approved
0.7561 Intermediate Similarity NPD7503 Approved
0.754 Intermediate Similarity NPD8293 Discontinued
0.75 Intermediate Similarity NPD6370 Approved
0.7479 Intermediate Similarity NPD6882 Approved
0.7381 Intermediate Similarity NPD7492 Approved
0.7377 Intermediate Similarity NPD7115 Discovery
0.7377 Intermediate Similarity NPD6009 Approved
0.7339 Intermediate Similarity NPD6059 Approved
0.7339 Intermediate Similarity NPD6054 Approved
0.7339 Intermediate Similarity NPD6319 Approved
0.7333 Intermediate Similarity NPD8297 Approved
0.7328 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD6616 Approved
0.7288 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4632 Approved
0.7266 Intermediate Similarity NPD7078 Approved
0.7265 Intermediate Similarity NPD7128 Approved
0.7265 Intermediate Similarity NPD6675 Approved
0.7265 Intermediate Similarity NPD6402 Approved
0.7265 Intermediate Similarity NPD5739 Approved
0.725 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD6372 Approved
0.7227 Intermediate Similarity NPD6373 Approved
0.7227 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD6399 Phase 3
0.7193 Intermediate Similarity NPD4225 Approved
0.7155 Intermediate Similarity NPD7632 Discontinued
0.7143 Intermediate Similarity NPD7320 Approved
0.7143 Intermediate Similarity NPD6016 Approved
0.7143 Intermediate Similarity NPD6015 Approved
0.7143 Intermediate Similarity NPD6899 Approved
0.7143 Intermediate Similarity NPD7748 Approved
0.7143 Intermediate Similarity NPD6881 Approved
0.7132 Intermediate Similarity NPD8074 Phase 3
0.7117 Intermediate Similarity NPD8035 Phase 2
0.7117 Intermediate Similarity NPD7983 Approved
0.7117 Intermediate Similarity NPD8034 Phase 2
0.7117 Intermediate Similarity NPD7515 Phase 2
0.7107 Intermediate Similarity NPD6649 Approved
0.7107 Intermediate Similarity NPD6650 Approved
0.7105 Intermediate Similarity NPD7902 Approved
0.7087 Intermediate Similarity NPD5988 Approved
0.7059 Intermediate Similarity NPD5701 Approved
0.7059 Intermediate Similarity NPD5697 Approved
0.7054 Intermediate Similarity NPD5779 Approved
0.7054 Intermediate Similarity NPD5778 Approved
0.7037 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD6067 Discontinued
0.7027 Intermediate Similarity NPD46 Approved
0.7027 Intermediate Similarity NPD6698 Approved
0.7025 Intermediate Similarity NPD7290 Approved
0.7025 Intermediate Similarity NPD6883 Approved
0.7025 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7102 Approved
0.6975 Remote Similarity NPD6008 Approved
0.6967 Remote Similarity NPD6617 Approved
0.6967 Remote Similarity NPD6869 Approved
0.6967 Remote Similarity NPD6847 Approved
0.6967 Remote Similarity NPD8130 Phase 1
0.6964 Remote Similarity NPD6411 Approved
0.6942 Remote Similarity NPD6012 Approved
0.6942 Remote Similarity NPD6013 Approved
0.6942 Remote Similarity NPD6014 Approved
0.6937 Remote Similarity NPD5328 Approved
0.6899 Remote Similarity NPD7604 Phase 2
0.6875 Remote Similarity NPD5983 Phase 2
0.6864 Remote Similarity NPD5211 Phase 2
0.686 Remote Similarity NPD6011 Approved
0.6842 Remote Similarity NPD7900 Approved
0.6842 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6033 Approved
0.6814 Remote Similarity NPD7637 Suspended
0.6814 Remote Similarity NPD6079 Approved
0.681 Remote Similarity NPD4755 Approved
0.6794 Remote Similarity NPD6336 Discontinued
0.6789 Remote Similarity NPD4786 Approved
0.6786 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6101 Approved
0.6777 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6053 Discontinued
0.6759 Remote Similarity NPD3667 Approved
0.675 Remote Similarity NPD5141 Approved
0.6748 Remote Similarity NPD4634 Approved
0.6744 Remote Similarity NPD6921 Approved
0.6724 Remote Similarity NPD7839 Suspended
0.6696 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6695 Remote Similarity NPD5285 Approved
0.6695 Remote Similarity NPD4700 Approved
0.6695 Remote Similarity NPD5286 Approved
0.6695 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD3618 Phase 1
0.6639 Remote Similarity NPD5344 Discontinued
0.6614 Remote Similarity NPD6940 Discontinued
0.6614 Remote Similarity NPD6274 Approved
0.6613 Remote Similarity NPD6371 Approved
0.661 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6609 Remote Similarity NPD8171 Discontinued
0.6607 Remote Similarity NPD7524 Approved
0.6607 Remote Similarity NPD3573 Approved
0.6591 Remote Similarity NPD8299 Approved
0.6591 Remote Similarity NPD8342 Approved
0.6591 Remote Similarity NPD8341 Approved
0.6591 Remote Similarity NPD8340 Approved
0.6589 Remote Similarity NPD7100 Approved
0.6589 Remote Similarity NPD7101 Approved
0.6583 Remote Similarity NPD5224 Approved
0.6583 Remote Similarity NPD5226 Approved
0.6583 Remote Similarity NPD4633 Approved
0.6583 Remote Similarity NPD5225 Approved
0.6581 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6581 Remote Similarity NPD5221 Approved
0.6581 Remote Similarity NPD5222 Approved
0.6581 Remote Similarity NPD4697 Phase 3
0.6574 Remote Similarity NPD7525 Registered
0.6557 Remote Similarity NPD4767 Approved
0.6557 Remote Similarity NPD4768 Approved
0.6545 Remote Similarity NPD7154 Phase 3
0.6544 Remote Similarity NPD7260 Phase 2
0.6542 Remote Similarity NPD6114 Approved
0.6542 Remote Similarity NPD6697 Approved
0.6542 Remote Similarity NPD6115 Approved
0.6542 Remote Similarity NPD6118 Approved
0.6529 Remote Similarity NPD5174 Approved
0.6529 Remote Similarity NPD5175 Approved
0.6525 Remote Similarity NPD5173 Approved
0.6518 Remote Similarity NPD6409 Approved
0.6518 Remote Similarity NPD7146 Approved
0.6518 Remote Similarity NPD7521 Approved
0.6518 Remote Similarity NPD5330 Approved
0.6518 Remote Similarity NPD6684 Approved
0.6518 Remote Similarity NPD7334 Approved
0.6512 Remote Similarity NPD6335 Approved
0.6504 Remote Similarity NPD7899 Clinical (unspecified phase)
0.65 Remote Similarity NPD5223 Approved
0.6489 Remote Similarity NPD6909 Approved
0.6489 Remote Similarity NPD6908 Approved
0.6486 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6484 Remote Similarity NPD6868 Approved
0.6483 Remote Similarity NPD7625 Phase 1
0.6481 Remote Similarity NPD7645 Phase 2
0.6466 Remote Similarity NPD4202 Approved
0.6452 Remote Similarity NPD4730 Approved
0.6452 Remote Similarity NPD4729 Approved
0.6449 Remote Similarity NPD6116 Phase 1
0.6434 Remote Similarity NPD6317 Approved
0.6434 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6418 Remote Similarity NPD8451 Approved
0.6404 Remote Similarity NPD6672 Approved
0.6404 Remote Similarity NPD6903 Approved
0.6404 Remote Similarity NPD5737 Approved
0.6396 Remote Similarity NPD6695 Phase 3
0.6396 Remote Similarity NPD5362 Discontinued
0.6393 Remote Similarity NPD4754 Approved
0.6391 Remote Similarity NPD7830 Approved
0.6391 Remote Similarity NPD7829 Approved
0.6391 Remote Similarity NPD7122 Discontinued
0.6385 Remote Similarity NPD6313 Approved
0.6385 Remote Similarity NPD7641 Discontinued
0.6385 Remote Similarity NPD6314 Approved
0.637 Remote Similarity NPD8448 Approved
0.6364 Remote Similarity NPD8444 Approved
0.6356 Remote Similarity NPD5695 Phase 3
0.6355 Remote Similarity NPD6117 Approved
0.635 Remote Similarity NPD6914 Discontinued
0.635 Remote Similarity NPD8392 Approved
0.635 Remote Similarity NPD8391 Approved
0.635 Remote Similarity NPD8390 Approved
0.6349 Remote Similarity NPD5249 Phase 3
0.6349 Remote Similarity NPD5250 Approved
0.6349 Remote Similarity NPD5251 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3357411
ZINC  

Physicochemical Properties

Molecular Weight:  496.27
ALogP:  -2.2999
MLogP:  3.33
XLogP:  1.114
# Rotatable Bonds:  13
Polar Surface Area:  156.91
# H-Bond Aceptor:  9
# H-Bond Donor:  6
# Rings:  5
# Heavy Atoms:  35

Download Data

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