Natural Product: NPC277583

Natural Product ID:  NPC277583
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H28O11
Standard InCHIKey:  MDZGQAYJCGFSNC-FKBIRUNOSA-N
Standard InCHI:  InChI=1S/C21H28O11/c1-18-8-30-17(28)19(18,2)16(27)20-5-11(23)32-21(18,20)4-3-9(20)7-29-15-14(26)13(25)12(24)10(6-22)31-15/h3,10,12-16,22,24-27H,4-8H2,1-2H3/t10-,12-,13+,14-,15-,16-,18-,19+,20+,21+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OCC2=CC[C@]34[C@]2(CC(=O)O3)[C@H](O)[C@@]2([C@@]4(C)COC2=O)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
NPO14738 Illicium majus Species Schisandraceae Eukaryota Roots PMID[24070022]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3119 Organism Human coxsackievirus B3 Human coxsackievirus B3 IC50 = 51700000 nM DrugMatrix in vivo data: Pathology
NPT189 Cell Line Vero Chlorocebus aethiops TC50 = 200 uM/ml 10.1039/C4MD00399C

  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 NPC277583 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
0.8468 Intermediate Similarity NPC475960
0.8407 Intermediate Similarity NPC474750
0.8235 Intermediate Similarity NPC473228
0.8235 Intermediate Similarity NPC470829
0.823 Intermediate Similarity NPC187876
0.8198 Intermediate Similarity NPC474917
0.8148 Intermediate Similarity NPC472290
0.8142 Intermediate Similarity NPC10150
0.8136 Intermediate Similarity NPC13710
0.8091 Intermediate Similarity NPC67296
0.8053 Intermediate Similarity NPC197813
0.8053 Intermediate Similarity NPC80338
0.8053 Intermediate Similarity NPC148270
0.8033 Intermediate Similarity NPC144625
0.8016 Intermediate Similarity NPC224623
0.8 Intermediate Similarity NPC469351
0.7984 Intermediate Similarity NPC311534
0.7982 Intermediate Similarity NPC236580
0.7982 Intermediate Similarity NPC304445
0.7946 Intermediate Similarity NPC474775
0.792 Intermediate Similarity NPC13071
0.7903 Intermediate Similarity NPC11732
0.7903 Intermediate Similarity NPC146456
0.7903 Intermediate Similarity NPC469757
0.7903 Intermediate Similarity NPC117702
0.7903 Intermediate Similarity NPC471357
0.7874 Intermediate Similarity NPC88668
0.7863 Intermediate Similarity NPC126691
0.7857 Intermediate Similarity NPC80144
0.7857 Intermediate Similarity NPC173347
0.7845 Intermediate Similarity NPC46407
0.7845 Intermediate Similarity NPC50223
0.7845 Intermediate Similarity NPC193741
0.7845 Intermediate Similarity NPC475463
0.784 Intermediate Similarity NPC172823
0.7838 Intermediate Similarity NPC473146
0.7833 Intermediate Similarity NPC161060
0.7826 Intermediate Similarity NPC110701
0.7818 Intermediate Similarity NPC58267
0.7818 Intermediate Similarity NPC263674
0.7818 Intermediate Similarity NPC261372
0.7815 Intermediate Similarity NPC106228
0.7815 Intermediate Similarity NPC138372
0.7812 Intermediate Similarity NPC471234
0.7807 Intermediate Similarity NPC170432
0.7807 Intermediate Similarity NPC127235
0.7805 Intermediate Similarity NPC129992
0.7805 Intermediate Similarity NPC186339
0.7805 Intermediate Similarity NPC27363
0.7803 Intermediate Similarity NPC5153
0.7803 Intermediate Similarity NPC48414
0.7788 Intermediate Similarity NPC475928
0.7788 Intermediate Similarity NPC37240
0.7778 Intermediate Similarity NPC251866
0.7778 Intermediate Similarity NPC469754
0.7778 Intermediate Similarity NPC10823
0.7778 Intermediate Similarity NPC70542
0.7778 Intermediate Similarity NPC471360
0.7778 Intermediate Similarity NPC86159
0.7778 Intermediate Similarity NPC6108
0.7778 Intermediate Similarity NPC469752
0.7778 Intermediate Similarity NPC471352
0.7778 Intermediate Similarity NPC472770
0.7778 Intermediate Similarity NPC471359
0.7778 Intermediate Similarity NPC471358
0.7778 Intermediate Similarity NPC469751
0.7778 Intermediate Similarity NPC469755
0.7778 Intermediate Similarity NPC9499
0.7778 Intermediate Similarity NPC284406
0.7778 Intermediate Similarity NPC471361
0.7778 Intermediate Similarity NPC469753
0.7778 Intermediate Similarity NPC219085
0.7778 Intermediate Similarity NPC17896
0.7778 Intermediate Similarity NPC287311
0.7778 Intermediate Similarity NPC180079
0.7778 Intermediate Similarity NPC89514
0.7778 Intermediate Similarity NPC197707
0.7769 Intermediate Similarity NPC19028
0.7769 Intermediate Similarity NPC477071
0.7769 Intermediate Similarity NPC9674
0.775 Intermediate Similarity NPC36754
0.775 Intermediate Similarity NPC475323
0.7748 Intermediate Similarity NPC49833
0.7748 Intermediate Similarity NPC249171
0.7734 Intermediate Similarity NPC104585
0.7734 Intermediate Similarity NPC298783
0.7734 Intermediate Similarity NPC225385
0.7734 Intermediate Similarity NPC157817
0.7731 Intermediate Similarity NPC471380
0.7727 Intermediate Similarity NPC474297
0.7727 Intermediate Similarity NPC54731
0.7719 Intermediate Similarity NPC305157
0.7719 Intermediate Similarity NPC203659
0.7719 Intermediate Similarity NPC100487
0.7719 Intermediate Similarity NPC307846
0.7712 Intermediate Similarity NPC475851
0.7712 Intermediate Similarity NPC475924
0.7705 Intermediate Similarity NPC147635
0.7705 Intermediate Similarity NPC163693
0.7699 Intermediate Similarity NPC261117
0.7699 Intermediate Similarity NPC4899
0.7699 Intermediate Similarity NPC35185
0.7699 Intermediate Similarity NPC177013
0.7699 Intermediate Similarity NPC86077
0.7699 Intermediate Similarity NPC310804
0.7699 Intermediate Similarity NPC474730
0.7699 Intermediate Similarity NPC105725
0.7699 Intermediate Similarity NPC475986
0.7692 Intermediate Similarity NPC477236
0.7692 Intermediate Similarity NPC41551
0.7686 Intermediate Similarity NPC475309
0.7686 Intermediate Similarity NPC475401
0.768 Intermediate Similarity NPC250556
0.768 Intermediate Similarity NPC469750
0.768 Intermediate Similarity NPC174367
0.768 Intermediate Similarity NPC47113
0.7679 Intermediate Similarity NPC280963
0.7672 Intermediate Similarity NPC117604
0.7661 Intermediate Similarity NPC471392
0.7661 Intermediate Similarity NPC1538
0.7661 Intermediate Similarity NPC42747
0.7658 Intermediate Similarity NPC328180
0.7658 Intermediate Similarity NPC161493
0.7658 Intermediate Similarity NPC278028
0.7656 Intermediate Similarity NPC472769
0.7652 Intermediate Similarity NPC243998
0.7652 Intermediate Similarity NPC54737
0.7652 Intermediate Similarity NPC469401
0.7652 Intermediate Similarity NPC223450
0.7647 Intermediate Similarity NPC285086
0.7647 Intermediate Similarity NPC474410
0.7647 Intermediate Similarity NPC287075
0.7647 Intermediate Similarity NPC312017
0.7647 Intermediate Similarity NPC9848
0.7647 Intermediate Similarity NPC293658
0.7642 Intermediate Similarity NPC472000
0.7642 Intermediate Similarity NPC472001
0.7642 Intermediate Similarity NPC471999
0.7632 Intermediate Similarity NPC474165
0.7632 Intermediate Similarity NPC232515
0.7632 Intermediate Similarity NPC260809
0.7632 Intermediate Similarity NPC4620
0.7632 Intermediate Similarity NPC473148
0.7632 Intermediate Similarity NPC110989
0.7632 Intermediate Similarity NPC69171
0.7632 Intermediate Similarity NPC474783
0.763 Intermediate Similarity NPC194854
0.763 Intermediate Similarity NPC48813
0.7627 Intermediate Similarity NPC471251
0.7623 Intermediate Similarity NPC477092
0.7619 Intermediate Similarity NPC179412
0.7619 Intermediate Similarity NPC240070
0.7619 Intermediate Similarity NPC298841
0.7619 Intermediate Similarity NPC471356
0.7619 Intermediate Similarity NPC42399
0.7619 Intermediate Similarity NPC329784
0.7615 Intermediate Similarity NPC179746
0.7615 Intermediate Similarity NPC81419
0.7615 Intermediate Similarity NPC320089
0.7612 Intermediate Similarity NPC471171
0.7611 Intermediate Similarity NPC4637
0.7611 Intermediate Similarity NPC98859
0.7611 Intermediate Similarity NPC477950
0.7611 Intermediate Similarity NPC171759
0.7607 Intermediate Similarity NPC59489
0.7607 Intermediate Similarity NPC118225
0.7607 Intermediate Similarity NPC139838
0.7603 Intermediate Similarity NPC475305
0.7603 Intermediate Similarity NPC470171
0.76 Intermediate Similarity NPC318135
0.7597 Intermediate Similarity NPC469749
0.7597 Intermediate Similarity NPC142756
0.7597 Intermediate Similarity NPC146857
0.7597 Intermediate Similarity NPC116075
0.7597 Intermediate Similarity NPC247190
0.7597 Intermediate Similarity NPC32793
0.7593 Intermediate Similarity NPC246173
0.7586 Intermediate Similarity NPC26617
0.7583 Intermediate Similarity NPC471382
0.7581 Intermediate Similarity NPC192309
0.7578 Intermediate Similarity NPC253456
0.7578 Intermediate Similarity NPC159338
0.7578 Intermediate Similarity NPC473838
0.7578 Intermediate Similarity NPC475389
0.7578 Intermediate Similarity NPC213634
0.7578 Intermediate Similarity NPC16569
0.7574 Intermediate Similarity NPC475462
0.7574 Intermediate Similarity NPC16729
0.7568 Intermediate Similarity NPC306041
0.7568 Intermediate Similarity NPC213078
0.7565 Intermediate Similarity NPC86095
0.7565 Intermediate Similarity NPC475676
0.7565 Intermediate Similarity NPC472748
0.7565 Intermediate Similarity NPC220964
0.7563 Intermediate Similarity NPC471570
0.7561 Intermediate Similarity NPC472004
0.7559 Intermediate Similarity NPC473620
0.7557 Intermediate Similarity NPC59288
0.7556 Intermediate Similarity NPC471172
0.7544 Intermediate Similarity NPC49393

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC277583 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
0.7778 Intermediate Similarity NPD7319 Approved
0.768 Intermediate Similarity NPD7507 Approved
0.7586 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD6371 Approved
0.7373 Intermediate Similarity NPD6686 Approved
0.736 Intermediate Similarity NPD8515 Approved
0.736 Intermediate Similarity NPD8517 Approved
0.736 Intermediate Similarity NPD8513 Phase 3
0.736 Intermediate Similarity NPD8516 Approved
0.7222 Intermediate Similarity NPD8033 Approved
0.712 Intermediate Similarity NPD7328 Approved
0.712 Intermediate Similarity NPD7327 Approved
0.7077 Intermediate Similarity NPD8293 Discontinued
0.7063 Intermediate Similarity NPD7516 Approved
0.7049 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD6370 Approved
0.7023 Intermediate Similarity NPD7736 Approved
0.7018 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD8294 Approved
0.7008 Intermediate Similarity NPD8377 Approved
0.7 Intermediate Similarity NPD6412 Phase 2
0.6992 Remote Similarity NPD6053 Discontinued
0.6964 Remote Similarity NPD46 Approved
0.6964 Remote Similarity NPD6698 Approved
0.6953 Remote Similarity NPD8378 Approved
0.6953 Remote Similarity NPD8296 Approved
0.6953 Remote Similarity NPD8335 Approved
0.6953 Remote Similarity NPD8380 Approved
0.6953 Remote Similarity NPD8379 Approved
0.6947 Remote Similarity NPD7078 Approved
0.6935 Remote Similarity NPD8133 Approved
0.6923 Remote Similarity NPD7492 Approved
0.6903 Remote Similarity NPD7983 Approved
0.6875 Remote Similarity NPD6059 Approved
0.6875 Remote Similarity NPD6054 Approved
0.687 Remote Similarity NPD6616 Approved
0.6822 Remote Similarity NPD6015 Approved
0.6822 Remote Similarity NPD7503 Approved
0.6822 Remote Similarity NPD6016 Approved
0.6818 Remote Similarity NPD8074 Phase 3
0.6783 Remote Similarity NPD5282 Discontinued
0.6769 Remote Similarity NPD5988 Approved
0.6757 Remote Similarity NPD4249 Approved
0.6744 Remote Similarity NPD6319 Approved
0.6742 Remote Similarity NPD8451 Approved
0.6726 Remote Similarity NPD1695 Approved
0.6696 Remote Similarity NPD4251 Approved
0.6696 Remote Similarity NPD4250 Approved
0.6692 Remote Similarity NPD8448 Approved
0.6667 Remote Similarity NPD5785 Approved
0.6641 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5362 Discontinued
0.6607 Remote Similarity NPD5786 Approved
0.6591 Remote Similarity NPD8328 Phase 3
0.6591 Remote Similarity NPD7642 Approved
0.6565 Remote Similarity NPD8444 Approved
0.6555 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6555 Remote Similarity NPD4225 Approved
0.6545 Remote Similarity NPD6435 Approved
0.6544 Remote Similarity NPD8392 Approved
0.6544 Remote Similarity NPD8391 Approved
0.6544 Remote Similarity NPD8390 Approved
0.6541 Remote Similarity NPD8340 Approved
0.6541 Remote Similarity NPD8341 Approved
0.6541 Remote Similarity NPD8299 Approved
0.6541 Remote Similarity NPD8342 Approved
0.6525 Remote Similarity NPD7839 Suspended
0.6518 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6512 Remote Similarity NPD7115 Discovery
0.6512 Remote Similarity NPD6009 Approved
0.6504 Remote Similarity NPD6008 Approved
0.6466 Remote Similarity NPD7830 Approved
0.6466 Remote Similarity NPD7829 Approved
0.6457 Remote Similarity NPD6882 Approved
0.6455 Remote Similarity NPD5369 Approved
0.6439 Remote Similarity NPD8269 Approved
0.6439 Remote Similarity NPD8268 Approved
0.6439 Remote Similarity NPD8266 Approved
0.6439 Remote Similarity NPD8267 Approved
0.641 Remote Similarity NPD5778 Approved
0.641 Remote Similarity NPD5779 Approved
0.6406 Remote Similarity NPD4632 Approved
0.64 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6397 Remote Similarity NPD6033 Approved
0.6396 Remote Similarity NPD4270 Approved
0.6396 Remote Similarity NPD4269 Approved
0.6385 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6383 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6372 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4821 Approved
0.6364 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4822 Approved
0.6364 Remote Similarity NPD5368 Approved
0.6364 Remote Similarity NPD4820 Approved
0.6364 Remote Similarity NPD4819 Approved
0.6349 Remote Similarity NPD6372 Approved
0.6349 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6349 Remote Similarity NPD6373 Approved
0.6339 Remote Similarity NPD7154 Phase 3
0.6328 Remote Similarity NPD8297 Approved
0.6325 Remote Similarity NPD7637 Suspended
0.6325 Remote Similarity NPD6411 Approved
0.6311 Remote Similarity NPD1700 Approved
0.629 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6281 Remote Similarity NPD7638 Approved
0.627 Remote Similarity NPD7320 Approved
0.625 Remote Similarity NPD6649 Approved
0.625 Remote Similarity NPD6650 Approved
0.624 Remote Similarity NPD6402 Approved
0.624 Remote Similarity NPD6675 Approved
0.624 Remote Similarity NPD5739 Approved
0.624 Remote Similarity NPD7128 Approved
0.6239 Remote Similarity NPD7838 Discovery
0.623 Remote Similarity NPD7640 Approved
0.623 Remote Similarity NPD7639 Approved
0.6228 Remote Similarity NPD5363 Approved
0.6216 Remote Similarity NPD4252 Approved
0.6212 Remote Similarity NPD7641 Discontinued
0.6194 Remote Similarity NPD8274 Clinical (unspecified phase)
0.619 Remote Similarity NPD5701 Approved
0.619 Remote Similarity NPD5697 Approved
0.6187 Remote Similarity NPD5956 Approved
0.6182 Remote Similarity NPD4268 Approved
0.6182 Remote Similarity NPD4271 Approved
0.6172 Remote Similarity NPD4634 Approved
0.6161 Remote Similarity NPD4790 Discontinued
0.6159 Remote Similarity NPD8336 Approved
0.6159 Remote Similarity NPD8337 Approved
0.6154 Remote Similarity NPD6101 Approved
0.6154 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6148 Remote Similarity NPD8080 Discontinued
0.6142 Remote Similarity NPD6881 Approved
0.6142 Remote Similarity NPD6899 Approved
0.6134 Remote Similarity NPD6399 Phase 3
0.6103 Remote Similarity NPD6067 Discontinued
0.6103 Remote Similarity NPD7122 Discontinued
0.6094 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6094 Remote Similarity NPD6012 Approved
0.6094 Remote Similarity NPD6013 Approved
0.6094 Remote Similarity NPD6014 Approved
0.6074 Remote Similarity NPD5983 Phase 2
0.6066 Remote Similarity NPD6083 Phase 2
0.6066 Remote Similarity NPD6084 Phase 2
0.6053 Remote Similarity NPD5332 Approved
0.6053 Remote Similarity NPD5331 Approved
0.6047 Remote Similarity NPD7290 Approved
0.6047 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6047 Remote Similarity NPD7102 Approved
0.6047 Remote Similarity NPD6883 Approved
0.6036 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6033 Remote Similarity NPD5695 Phase 3
0.6028 Remote Similarity NPD7260 Phase 2
0.6016 Remote Similarity NPD5696 Approved
0.6016 Remote Similarity NPD6011 Approved
0.6 Remote Similarity NPD6869 Approved
0.6 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6 Remote Similarity NPD8130 Phase 1
0.6 Remote Similarity NPD6617 Approved
0.6 Remote Similarity NPD6847 Approved
0.5986 Remote Similarity NPD6845 Suspended
0.5986 Remote Similarity NPD8338 Approved
0.5985 Remote Similarity NPD7604 Phase 2
0.5983 Remote Similarity NPD7524 Approved
0.5956 Remote Similarity NPD6921 Approved
0.5939 Remote Similarity NPD7799 Discontinued
0.5935 Remote Similarity NPD4755 Approved
0.592 Remote Similarity NPD5344 Discontinued
0.5899 Remote Similarity NPD6336 Discontinued
0.5899 Remote Similarity NPD8273 Phase 1
0.5894 Remote Similarity NPD7625 Phase 1
0.5878 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5873 Remote Similarity NPD5211 Phase 2
0.5862 Remote Similarity NPD7338 Clinical (unspecified phase)
0.584 Remote Similarity NPD4696 Approved
0.584 Remote Similarity NPD5286 Approved
0.584 Remote Similarity NPD5285 Approved
0.584 Remote Similarity NPD4700 Approved
0.5839 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5821 Remote Similarity NPD6274 Approved
0.5814 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5785 Remote Similarity NPD5693 Phase 1
0.5785 Remote Similarity NPD5284 Approved
0.5785 Remote Similarity NPD5281 Approved
0.5781 Remote Similarity NPD5141 Approved
0.5776 Remote Similarity NPD6695 Phase 3
0.5772 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5758 Remote Similarity NPD2204 Approved
0.5753 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5752 Remote Similarity NPD4238 Approved
0.5752 Remote Similarity NPD4802 Phase 2
0.575 Remote Similarity NPD4753 Phase 2
0.575 Remote Similarity NPD6051 Approved
0.5748 Remote Similarity NPD7632 Discontinued
0.5748 Remote Similarity NPD8138 Approved
0.5748 Remote Similarity NPD8084 Approved
0.5748 Remote Similarity NPD8083 Approved
0.5748 Remote Similarity NPD5224 Approved
0.5748 Remote Similarity NPD8139 Approved

Structure

External Identifiers

PubChem CID   72705256
ChEMBL   CHEMBL2431473
ZINC  

Physicochemical Properties

Molecular Weight:  456.16
ALogP:  -2.6178
MLogP:  2.56
XLogP:  -2.581
# Rotatable Bonds:  11
Polar Surface Area:  172.21
# H-Bond Aceptor:  11
# H-Bond Donor:  5
# Rings:  5
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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