Natural Product: NPC473070

Natural Product ID:  NPC473070
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C19H30O8
Standard InCHIKey:  UWVPTDQDFQAEIW-OIDWXNETSA-N
Standard InCHI:  InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(26-19)8-18(19,4)27-16-15(24)14(23)13(22)12(9-20)25-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16-,18+,19+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@]2(C)C[C@H]3O[C@]2(/C=C/C(=O)C)C(C3)(C)C)[C@@H]([C@H]([C@@H]1O)O)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
NPO28765 Miliusa balansae Species Annonaceae Eukaryota Leaves PMID[26238320]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 84.8 % 14518939

  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 NPC473070 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
0.9896 High Similarity NPC473068
0.9596 High Similarity NPC473069
0.91 High Similarity NPC194941
0.8713 High Similarity NPC150463
0.8713 High Similarity NPC214277
0.8286 Intermediate Similarity NPC239961
0.8235 Intermediate Similarity NPC312325
0.8224 Intermediate Similarity NPC206618
0.8165 Intermediate Similarity NPC328074
0.8165 Intermediate Similarity NPC317460
0.8165 Intermediate Similarity NPC470025
0.8165 Intermediate Similarity NPC321272
0.8148 Intermediate Similarity NPC316708
0.8148 Intermediate Similarity NPC46407
0.8131 Intermediate Similarity NPC38948
0.8091 Intermediate Similarity NPC470027
0.8077 Intermediate Similarity NPC198992
0.8073 Intermediate Similarity NPC470026
0.8073 Intermediate Similarity NPC17791
0.8058 Intermediate Similarity NPC475068
0.8 Intermediate Similarity NPC471082
0.7963 Intermediate Similarity NPC128795
0.7963 Intermediate Similarity NPC217921
0.7963 Intermediate Similarity NPC135015
0.7963 Intermediate Similarity NPC48548
0.7928 Intermediate Similarity NPC264153
0.7925 Intermediate Similarity NPC120009
0.789 Intermediate Similarity NPC28844
0.789 Intermediate Similarity NPC257853
0.789 Intermediate Similarity NPC316974
0.789 Intermediate Similarity NPC40728
0.789 Intermediate Similarity NPC473318
0.789 Intermediate Similarity NPC473328
0.787 Intermediate Similarity NPC88013
0.787 Intermediate Similarity NPC109376
0.787 Intermediate Similarity NPC125423
0.783 Intermediate Similarity NPC121423
0.783 Intermediate Similarity NPC472815
0.7818 Intermediate Similarity NPC191439
0.7818 Intermediate Similarity NPC170974
0.7818 Intermediate Similarity NPC177047
0.7818 Intermediate Similarity NPC103627
0.7818 Intermediate Similarity NPC65155
0.7798 Intermediate Similarity NPC224660
0.7798 Intermediate Similarity NPC470024
0.7798 Intermediate Similarity NPC181994
0.7798 Intermediate Similarity NPC311223
0.7788 Intermediate Similarity NPC120446
0.7778 Intermediate Similarity NPC82251
0.7778 Intermediate Similarity NPC172867
0.7778 Intermediate Similarity NPC218158
0.7759 Intermediate Similarity NPC233500
0.7757 Intermediate Similarity NPC474575
0.7755 Intermediate Similarity NPC34581
0.7739 Intermediate Similarity NPC470914
0.7736 Intermediate Similarity NPC472554
0.7736 Intermediate Similarity NPC280991
0.7736 Intermediate Similarity NPC154127
0.7719 Intermediate Similarity NPC50305
0.7719 Intermediate Similarity NPC471353
0.7719 Intermediate Similarity NPC84987
0.7719 Intermediate Similarity NPC158344
0.7719 Intermediate Similarity NPC27507
0.7719 Intermediate Similarity NPC473852
0.7719 Intermediate Similarity NPC243196
0.7719 Intermediate Similarity NPC203862
0.7719 Intermediate Similarity NPC142066
0.7719 Intermediate Similarity NPC471351
0.7719 Intermediate Similarity NPC309034
0.7719 Intermediate Similarity NPC471354
0.7719 Intermediate Similarity NPC474418
0.7719 Intermediate Similarity NPC34390
0.7719 Intermediate Similarity NPC157376
0.7719 Intermediate Similarity NPC196429
0.7719 Intermediate Similarity NPC244402
0.7719 Intermediate Similarity NPC152615
0.7719 Intermediate Similarity NPC77319
0.7719 Intermediate Similarity NPC471355
0.7719 Intermediate Similarity NPC99728
0.7719 Intermediate Similarity NPC87250
0.7714 Intermediate Similarity NPC169468
0.7714 Intermediate Similarity NPC61630
0.7714 Intermediate Similarity NPC81483
0.7714 Intermediate Similarity NPC307517
0.7706 Intermediate Similarity NPC122816
0.7692 Intermediate Similarity NPC196130
0.7679 Intermediate Similarity NPC231797
0.7679 Intermediate Similarity NPC473125
0.7672 Intermediate Similarity NPC48692
0.7672 Intermediate Similarity NPC475136
0.7672 Intermediate Similarity NPC474466
0.7664 Intermediate Similarity NPC223834
0.7664 Intermediate Similarity NPC201191
0.7664 Intermediate Similarity NPC472552
0.7658 Intermediate Similarity NPC119550
0.7652 Intermediate Similarity NPC83287
0.7636 Intermediate Similarity NPC38376
0.7636 Intermediate Similarity NPC80210
0.7632 Intermediate Similarity NPC310341
0.7632 Intermediate Similarity NPC471816
0.7632 Intermediate Similarity NPC99620
0.7632 Intermediate Similarity NPC199428
0.7632 Intermediate Similarity NPC193382
0.7632 Intermediate Similarity NPC5311
0.7619 Intermediate Similarity NPC26307
0.7619 Intermediate Similarity NPC474194
0.7615 Intermediate Similarity NPC51719
0.7615 Intermediate Similarity NPC476592
0.7615 Intermediate Similarity NPC85670
0.7611 Intermediate Similarity NPC290608
0.7611 Intermediate Similarity NPC40133
0.7611 Intermediate Similarity NPC49413
0.7611 Intermediate Similarity NPC44298
0.7611 Intermediate Similarity NPC287075
0.7611 Intermediate Similarity NPC473128
0.7593 Intermediate Similarity NPC151516
0.7593 Intermediate Similarity NPC7613
0.7593 Intermediate Similarity NPC475889
0.7593 Intermediate Similarity NPC7644
0.7593 Intermediate Similarity NPC127933
0.7593 Intermediate Similarity NPC281378
0.7589 Intermediate Similarity NPC208189
0.7589 Intermediate Similarity NPC65034
0.7586 Intermediate Similarity NPC29639
0.7586 Intermediate Similarity NPC44899
0.7586 Intermediate Similarity NPC219656
0.7586 Intermediate Similarity NPC329905
0.7586 Intermediate Similarity NPC5883
0.7586 Intermediate Similarity NPC304260
0.7576 Intermediate Similarity NPC471267
0.757 Intermediate Similarity NPC475767
0.757 Intermediate Similarity NPC119467
0.7568 Intermediate Similarity NPC221110
0.7568 Intermediate Similarity NPC195116
0.7568 Intermediate Similarity NPC285253
0.7568 Intermediate Similarity NPC180459
0.7565 Intermediate Similarity NPC13713
0.7565 Intermediate Similarity NPC93883
0.7551 Intermediate Similarity NPC31019
0.7551 Intermediate Similarity NPC2379
0.7551 Intermediate Similarity NPC106912
0.7551 Intermediate Similarity NPC263087
0.7551 Intermediate Similarity NPC27314
0.7551 Intermediate Similarity NPC471987
0.7549 Intermediate Similarity NPC261990
0.7549 Intermediate Similarity NPC474249
0.7545 Intermediate Similarity NPC33053
0.7545 Intermediate Similarity NPC472390
0.7545 Intermediate Similarity NPC475074
0.7545 Intermediate Similarity NPC471205
0.7544 Intermediate Similarity NPC471633
0.7544 Intermediate Similarity NPC475163
0.7544 Intermediate Similarity NPC84949
0.7544 Intermediate Similarity NPC69576
0.7544 Intermediate Similarity NPC106446
0.7544 Intermediate Similarity NPC31354
0.7524 Intermediate Similarity NPC90583
0.7523 Intermediate Similarity NPC473207
0.7523 Intermediate Similarity NPC81567
0.7523 Intermediate Similarity NPC201880
0.7523 Intermediate Similarity NPC264867
0.7523 Intermediate Similarity NPC470321
0.7521 Intermediate Similarity NPC475629
0.7521 Intermediate Similarity NPC270109
0.7521 Intermediate Similarity NPC135369
0.7521 Intermediate Similarity NPC475556
0.75 Intermediate Similarity NPC11956
0.75 Intermediate Similarity NPC238397
0.75 Intermediate Similarity NPC471482
0.75 Intermediate Similarity NPC234522
0.75 Intermediate Similarity NPC235014
0.75 Intermediate Similarity NPC473828
0.75 Intermediate Similarity NPC256368
0.75 Intermediate Similarity NPC473617
0.75 Intermediate Similarity NPC2003
0.75 Intermediate Similarity NPC37207
0.75 Intermediate Similarity NPC471363
0.75 Intermediate Similarity NPC300399
0.75 Intermediate Similarity NPC25701
0.75 Intermediate Similarity NPC218093
0.7478 Intermediate Similarity NPC207637
0.7477 Intermediate Similarity NPC38855
0.7477 Intermediate Similarity NPC392
0.7477 Intermediate Similarity NPC177524
0.7477 Intermediate Similarity NPC188968
0.7477 Intermediate Similarity NPC219900
0.7459 Intermediate Similarity NPC476966
0.7459 Intermediate Similarity NPC471407
0.7458 Intermediate Similarity NPC475219
0.7458 Intermediate Similarity NPC173555
0.7458 Intermediate Similarity NPC314535
0.7458 Intermediate Similarity NPC231518
0.7456 Intermediate Similarity NPC311592
0.7456 Intermediate Similarity NPC473159
0.7456 Intermediate Similarity NPC474410
0.7456 Intermediate Similarity NPC75167
0.7456 Intermediate Similarity NPC293658
0.7455 Intermediate Similarity NPC470767
0.7455 Intermediate Similarity NPC470763
0.7453 Intermediate Similarity NPC266842

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473070 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
0.7739 Intermediate Similarity NPD7516 Approved
0.7652 Intermediate Similarity NPD7327 Approved
0.7652 Intermediate Similarity NPD7328 Approved
0.7477 Intermediate Similarity NPD6686 Approved
0.7458 Intermediate Similarity NPD8033 Approved
0.7458 Intermediate Similarity NPD8378 Approved
0.7458 Intermediate Similarity NPD8380 Approved
0.7458 Intermediate Similarity NPD8379 Approved
0.7458 Intermediate Similarity NPD8335 Approved
0.7458 Intermediate Similarity NPD8296 Approved
0.7407 Intermediate Similarity NPD5344 Discontinued
0.7373 Intermediate Similarity NPD8294 Approved
0.7373 Intermediate Similarity NPD8377 Approved
0.7311 Intermediate Similarity NPD7503 Approved
0.7073 Intermediate Similarity NPD7507 Approved
0.7064 Intermediate Similarity NPD4225 Approved
0.704 Intermediate Similarity NPD7319 Approved
0.7 Intermediate Similarity NPD6648 Approved
0.6829 Remote Similarity NPD6370 Approved
0.681 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6412 Phase 2
0.6757 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6729 Remote Similarity NPD7838 Discovery
0.6667 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6016 Approved
0.6613 Remote Similarity NPD8515 Approved
0.6613 Remote Similarity NPD8516 Approved
0.6613 Remote Similarity NPD6015 Approved
0.6613 Remote Similarity NPD8517 Approved
0.6613 Remote Similarity NPD8513 Phase 3
0.661 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6581 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6574 Remote Similarity NPD46 Approved
0.6574 Remote Similarity NPD6698 Approved
0.6562 Remote Similarity NPD7736 Approved
0.656 Remote Similarity NPD5988 Approved
0.6476 Remote Similarity NPD6400 Clinical (unspecified phase)
0.646 Remote Similarity NPD7638 Approved
0.6457 Remote Similarity NPD7492 Approved
0.6446 Remote Similarity NPD8133 Approved
0.6423 Remote Similarity NPD7115 Discovery
0.6417 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6406 Remote Similarity NPD6616 Approved
0.6404 Remote Similarity NPD7640 Approved
0.6404 Remote Similarity NPD7639 Approved
0.64 Remote Similarity NPD6059 Approved
0.6396 Remote Similarity NPD5282 Discontinued
0.6378 Remote Similarity NPD8328 Phase 3
0.6357 Remote Similarity NPD7078 Approved
0.6357 Remote Similarity NPD8293 Discontinued
0.6356 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6356 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6333 Remote Similarity NPD6371 Approved
0.6296 Remote Similarity NPD7524 Approved
0.629 Remote Similarity NPD6009 Approved
0.6273 Remote Similarity NPD3168 Discontinued
0.627 Remote Similarity NPD6319 Approved
0.625 Remote Similarity NPD6067 Discontinued
0.625 Remote Similarity NPD7642 Approved
0.623 Remote Similarity NPD6882 Approved
0.6195 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6179 Remote Similarity NPD4632 Approved
0.616 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6127 Remote Similarity NPD7625 Phase 1
0.6107 Remote Similarity NPD8074 Phase 3
0.6098 Remote Similarity NPD8297 Approved
0.6094 Remote Similarity NPD6921 Approved
0.6019 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6018 Remote Similarity NPD8171 Discontinued
0.6017 Remote Similarity NPD7632 Discontinued
0.6 Remote Similarity NPD7829 Approved
0.6 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6 Remote Similarity NPD7830 Approved
0.5963 Remote Similarity NPD1694 Approved
0.595 Remote Similarity NPD5697 Approved
0.594 Remote Similarity NPD6033 Approved
0.5935 Remote Similarity NPD4634 Approved
0.5932 Remote Similarity NPD4159 Approved
0.5926 Remote Similarity NPD6695 Phase 3
0.5917 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5909 Remote Similarity NPD4249 Approved
0.5902 Remote Similarity NPD6881 Approved
0.5902 Remote Similarity NPD6899 Approved
0.5887 Remote Similarity NPD6649 Approved
0.5887 Remote Similarity NPD6650 Approved
0.5882 Remote Similarity NPD5211 Phase 2
0.5868 Remote Similarity NPD6008 Approved
0.5859 Remote Similarity NPD7641 Discontinued
0.5856 Remote Similarity NPD4251 Approved
0.5856 Remote Similarity NPD4250 Approved
0.5854 Remote Similarity NPD6012 Approved
0.5854 Remote Similarity NPD6014 Approved
0.5854 Remote Similarity NPD6013 Approved
0.5852 Remote Similarity NPD5956 Approved
0.5847 Remote Similarity NPD5286 Approved
0.5847 Remote Similarity NPD4696 Approved
0.5847 Remote Similarity NPD5285 Approved
0.5846 Remote Similarity NPD5983 Phase 2
0.5846 Remote Similarity NPD8444 Approved
0.5841 Remote Similarity NPD5785 Approved
0.584 Remote Similarity NPD6053 Discontinued
0.5818 Remote Similarity NPD1696 Phase 3
0.5809 Remote Similarity NPD7260 Phase 2
0.5806 Remote Similarity NPD7102 Approved
0.5806 Remote Similarity NPD7290 Approved
0.5806 Remote Similarity NPD6883 Approved
0.5802 Remote Similarity NPD5126 Approved
0.5802 Remote Similarity NPD5125 Phase 3
0.5789 Remote Similarity NPD8451 Approved
0.5789 Remote Similarity NPD7983 Approved
0.5789 Remote Similarity NPD7637 Suspended
0.5785 Remote Similarity NPD5141 Approved
0.5772 Remote Similarity NPD7320 Approved
0.5772 Remote Similarity NPD6011 Approved
0.5766 Remote Similarity NPD6845 Suspended
0.576 Remote Similarity NPD6869 Approved
0.576 Remote Similarity NPD8130 Phase 1
0.576 Remote Similarity NPD6847 Approved
0.576 Remote Similarity NPD6617 Approved
0.5758 Remote Similarity NPD7604 Phase 2
0.575 Remote Similarity NPD5224 Approved
0.575 Remote Similarity NPD5225 Approved
0.575 Remote Similarity NPD5226 Approved
0.575 Remote Similarity NPD4633 Approved
0.5746 Remote Similarity NPD8448 Approved
0.5738 Remote Similarity NPD6675 Approved
0.5738 Remote Similarity NPD5739 Approved
0.5738 Remote Similarity NPD7128 Approved
0.5738 Remote Similarity NPD6402 Approved
0.5738 Remote Similarity NPD5357 Phase 1
0.5726 Remote Similarity NPD6372 Approved
0.5726 Remote Similarity NPD6373 Approved
0.5714 Remote Similarity NPD7750 Discontinued
0.5714 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5702 Remote Similarity NPD5174 Approved
0.5702 Remote Similarity NPD5175 Approved
0.5702 Remote Similarity NPD8522 Clinical (unspecified phase)
0.5691 Remote Similarity NPD5701 Approved
0.5688 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5678 Remote Similarity NPD4755 Approved
0.5673 Remote Similarity NPD1810 Approved
0.5673 Remote Similarity NPD1811 Approved
0.5672 Remote Similarity NPD6336 Discontinued
0.5667 Remote Similarity NPD5223 Approved
0.5652 Remote Similarity NPD8338 Approved
0.5652 Remote Similarity NPD6079 Approved
0.5652 Remote Similarity NPD8449 Approved
0.5648 Remote Similarity NPD6931 Approved
0.5648 Remote Similarity NPD7514 Phase 3
0.5648 Remote Similarity NPD6930 Phase 2
0.5648 Remote Similarity NPD7525 Registered
0.5648 Remote Similarity NPD7332 Phase 2
0.5645 Remote Similarity NPD4729 Approved
0.5645 Remote Similarity NPD4730 Approved
0.5636 Remote Similarity NPD3669 Approved
0.5636 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3618 Phase 1
0.562 Remote Similarity NPD8392 Approved
0.562 Remote Similarity NPD8390 Approved
0.562 Remote Similarity NPD8391 Approved
0.562 Remote Similarity NPD3653 Clinical (unspecified phase)
0.5614 Remote Similarity NPD1695 Approved
0.5612 Remote Similarity NPD8450 Suspended
0.5603 Remote Similarity NPD4202 Approved
0.5603 Remote Similarity NPD5779 Approved
0.5603 Remote Similarity NPD5778 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3608834
ZINC  

Physicochemical Properties

Molecular Weight:  386.19
ALogP:  -1.2026
MLogP:  2.67
XLogP:  0.079
# Rotatable Bonds:  13
Polar Surface Area:  125.68
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  27

Download Data

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