Natural Product: NPC256618

Natural Product ID:  NPC256618
Common Name:   Azadirachtin Q
IUPAC Name:  
Synonyms:   1,3-Diacetylazadirachtol
Molecular Formula:   C32H40O15
Standard InCHIKey:  WCKRCDIVSWWTJC-NRRASYIRSA-N
Standard InCHI:  InChI=1S/C32H40O15/c1-13(33)44-16-10-17(45-14(2)34)30(25(37)40-6)12-42-19-22(30)29(16)11-43-20(24(36)39-5)21(29)27(3,23(19)35)32-18-9-15(28(32,4)47-32)31(38)7-8-41-26(31)46-18/h7-8,15-23,26,35,38H,9-12H2,1-6H3/t15-,16+,17-,18+,19-,20+,21+,22-,23-,26+,27+,28+,29-,30+,31+,32+/m1/s1
Canonical SMILES:  COC(=O)[C@H]1OC[C@]23[C@@H]1[C@@](C)([C@@H]([C@H]1[C@H]3[C@@]([C@@H](C[C@@H]2OC(=O)C)OC(=O)C)(CO1)C(=O)OC)O)[C@@]12O[C@@]2(C)[C@H]2C[C@@H]1O[C@H]1[C@]2(O)C=CO1
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
NPO1837 Azadirachta excelsa Species Meliaceae Eukaryota seed kernels PMID[16038546]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT849 Organism Plutella xylostella Plutella xylostella LD50 = 1.4 mg/kg 24697496
NPT849 Organism Plutella xylostella Plutella xylostella LD50 = 5.95 mg/kg DrugMatrix in vivo data: Pathology
NPT849 Organism Plutella xylostella Plutella xylostella LD50 = 1.89 mg/kg DrugMatrix in vivo data: Pathology
NPT849 Organism Plutella xylostella Plutella xylostella LD50 = 1.1 mg/kg DrugMatrix in vivo data: Pathology

  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 NPC256618 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 NPC219058
0.9919 High Similarity NPC475376
0.9756 High Similarity NPC42206
0.9444 High Similarity NPC470117
0.9318 High Similarity NPC194854
0.9318 High Similarity NPC48813
0.9248 High Similarity NPC475462
0.9248 High Similarity NPC16729
0.9098 High Similarity NPC471172
0.9091 High Similarity NPC48414
0.9091 High Similarity NPC5153
0.8881 High Similarity NPC471171
0.8387 Intermediate Similarity NPC470115
0.8387 Intermediate Similarity NPC470116
0.816 Intermediate Similarity NPC285086
0.8148 Intermediate Similarity NPC471234
0.8077 Intermediate Similarity NPC65858
0.8065 Intermediate Similarity NPC86217
0.803 Intermediate Similarity NPC273962
0.8015 Intermediate Similarity NPC43252
0.8015 Intermediate Similarity NPC135038
0.8015 Intermediate Similarity NPC267822
0.7984 Intermediate Similarity NPC305939
0.7955 Intermediate Similarity NPC169818
0.7941 Intermediate Similarity NPC88668
0.7926 Intermediate Similarity NPC473838
0.7926 Intermediate Similarity NPC475389
0.792 Intermediate Similarity NPC130302
0.792 Intermediate Similarity NPC98633
0.7891 Intermediate Similarity NPC475490
0.7874 Intermediate Similarity NPC102619
0.7852 Intermediate Similarity NPC470880
0.782 Intermediate Similarity NPC475194
0.7786 Intermediate Similarity NPC317635
0.7786 Intermediate Similarity NPC471406
0.7786 Intermediate Similarity NPC142882
0.7786 Intermediate Similarity NPC329008
0.7778 Intermediate Similarity NPC255655
0.7778 Intermediate Similarity NPC168899
0.7778 Intermediate Similarity NPC476078
0.7778 Intermediate Similarity NPC476091
0.7778 Intermediate Similarity NPC69273
0.7778 Intermediate Similarity NPC293623
0.777 Intermediate Similarity NPC477236
0.7761 Intermediate Similarity NPC47113
0.7761 Intermediate Similarity NPC174367
0.7742 Intermediate Similarity NPC291414
0.7737 Intermediate Similarity NPC473805
0.7737 Intermediate Similarity NPC471855
0.7737 Intermediate Similarity NPC473519
0.7721 Intermediate Similarity NPC309096
0.7721 Intermediate Similarity NPC54614
0.7717 Intermediate Similarity NPC272242
0.7717 Intermediate Similarity NPC56025
0.7717 Intermediate Similarity NPC471251
0.7717 Intermediate Similarity NPC473062
0.7704 Intermediate Similarity NPC2757
0.7704 Intermediate Similarity NPC473265
0.7704 Intermediate Similarity NPC473253
0.7704 Intermediate Similarity NPC117702
0.7704 Intermediate Similarity NPC305496
0.7704 Intermediate Similarity NPC470882
0.7704 Intermediate Similarity NPC469757
0.7704 Intermediate Similarity NPC471357
0.7704 Intermediate Similarity NPC146456
0.7692 Intermediate Similarity NPC179429
0.7687 Intermediate Similarity NPC473255
0.7681 Intermediate Similarity NPC475487
0.7681 Intermediate Similarity NPC102015
0.7674 Intermediate Similarity NPC79193
0.7664 Intermediate Similarity NPC241008
0.7647 Intermediate Similarity NPC475636
0.7647 Intermediate Similarity NPC295220
0.7647 Intermediate Similarity NPC311534
0.7647 Intermediate Similarity NPC473620
0.7643 Intermediate Similarity NPC251998
0.7638 Intermediate Similarity NPC106760
0.7638 Intermediate Similarity NPC124053
0.763 Intermediate Similarity NPC93368
0.7626 Intermediate Similarity NPC477234
0.7615 Intermediate Similarity NPC88945
0.7612 Intermediate Similarity NPC227397
0.76 Intermediate Similarity NPC166079
0.76 Intermediate Similarity NPC285927
0.76 Intermediate Similarity NPC306776
0.7597 Intermediate Similarity NPC97002
0.7594 Intermediate Similarity NPC470478
0.7591 Intermediate Similarity NPC471360
0.7591 Intermediate Similarity NPC9499
0.7591 Intermediate Similarity NPC17896
0.7591 Intermediate Similarity NPC89514
0.7591 Intermediate Similarity NPC469751
0.7591 Intermediate Similarity NPC469752
0.7591 Intermediate Similarity NPC471407
0.7591 Intermediate Similarity NPC70542
0.7591 Intermediate Similarity NPC180079
0.7591 Intermediate Similarity NPC284406
0.7591 Intermediate Similarity NPC471358
0.7591 Intermediate Similarity NPC471352
0.7591 Intermediate Similarity NPC469755
0.7591 Intermediate Similarity NPC471361
0.7591 Intermediate Similarity NPC476851
0.7591 Intermediate Similarity NPC471359
0.7591 Intermediate Similarity NPC469753
0.7591 Intermediate Similarity NPC10823
0.7591 Intermediate Similarity NPC251866
0.7591 Intermediate Similarity NPC197707
0.7591 Intermediate Similarity NPC86159
0.7591 Intermediate Similarity NPC6108
0.7591 Intermediate Similarity NPC469754
0.7591 Intermediate Similarity NPC470851
0.7591 Intermediate Similarity NPC219085
0.7589 Intermediate Similarity NPC295885
0.7589 Intermediate Similarity NPC140045
0.7589 Intermediate Similarity NPC596
0.7578 Intermediate Similarity NPC157476
0.7576 Intermediate Similarity NPC477071
0.7574 Intermediate Similarity NPC42399
0.7574 Intermediate Similarity NPC152091
0.7574 Intermediate Similarity NPC470780
0.7571 Intermediate Similarity NPC171619
0.7571 Intermediate Similarity NPC262813
0.7559 Intermediate Similarity NPC471250
0.7557 Intermediate Similarity NPC473304
0.7557 Intermediate Similarity NPC470171
0.7556 Intermediate Similarity NPC130229
0.7554 Intermediate Similarity NPC32793
0.7554 Intermediate Similarity NPC116075
0.7554 Intermediate Similarity NPC469749
0.7554 Intermediate Similarity NPC157817
0.7554 Intermediate Similarity NPC298783
0.7554 Intermediate Similarity NPC104585
0.7554 Intermediate Similarity NPC146857
0.7554 Intermediate Similarity NPC142756
0.7554 Intermediate Similarity NPC247190
0.7554 Intermediate Similarity NPC225385
0.7537 Intermediate Similarity NPC222688
0.7537 Intermediate Similarity NPC28532
0.7536 Intermediate Similarity NPC476852
0.7536 Intermediate Similarity NPC213634
0.7536 Intermediate Similarity NPC173347
0.7535 Intermediate Similarity NPC75616
0.7535 Intermediate Similarity NPC79250
0.7535 Intermediate Similarity NPC477233
0.7535 Intermediate Similarity NPC290746
0.7535 Intermediate Similarity NPC477232
0.752 Intermediate Similarity NPC100078
0.752 Intermediate Similarity NPC88469
0.7519 Intermediate Similarity NPC243572
0.7519 Intermediate Similarity NPC241192
0.7519 Intermediate Similarity NPC477489
0.7518 Intermediate Similarity NPC141215
0.7518 Intermediate Similarity NPC470850
0.7518 Intermediate Similarity NPC190065
0.7518 Intermediate Similarity NPC59288
0.7518 Intermediate Similarity NPC471089
0.7518 Intermediate Similarity NPC188291
0.7518 Intermediate Similarity NPC473888
0.75 Intermediate Similarity NPC478069
0.75 Intermediate Similarity NPC478072
0.75 Intermediate Similarity NPC470776
0.75 Intermediate Similarity NPC329636
0.75 Intermediate Similarity NPC87662
0.75 Intermediate Similarity NPC104427
0.7482 Intermediate Similarity NPC33378
0.7482 Intermediate Similarity NPC254146
0.7482 Intermediate Similarity NPC231240
0.7482 Intermediate Similarity NPC19124
0.7482 Intermediate Similarity NPC42670
0.7482 Intermediate Similarity NPC180902
0.7482 Intermediate Similarity NPC254614
0.7482 Intermediate Similarity NPC100390
0.7482 Intermediate Similarity NPC6274
0.7482 Intermediate Similarity NPC472769
0.7482 Intermediate Similarity NPC93416
0.7482 Intermediate Similarity NPC475139
0.7481 Intermediate Similarity NPC470628
0.7481 Intermediate Similarity NPC474046
0.7481 Intermediate Similarity NPC141196
0.7481 Intermediate Similarity NPC27363
0.7481 Intermediate Similarity NPC478066
0.7481 Intermediate Similarity NPC474734
0.7481 Intermediate Similarity NPC1980
0.7481 Intermediate Similarity NPC259306
0.7481 Intermediate Similarity NPC41129
0.7481 Intermediate Similarity NPC238005
0.748 Intermediate Similarity NPC208461
0.748 Intermediate Similarity NPC289702
0.748 Intermediate Similarity NPC224414
0.7464 Intermediate Similarity NPC473593
0.7463 Intermediate Similarity NPC102822
0.7463 Intermediate Similarity NPC275675
0.7463 Intermediate Similarity NPC75417
0.7463 Intermediate Similarity NPC477046
0.7462 Intermediate Similarity NPC132668
0.7447 Intermediate Similarity NPC194716
0.7445 Intermediate Similarity NPC240070
0.7445 Intermediate Similarity NPC329784
0.7445 Intermediate Similarity NPC287423
0.7445 Intermediate Similarity NPC298841

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC256618 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 NPD7736 Approved
0.7704 Intermediate Similarity NPD8293 Discontinued
0.7669 Intermediate Similarity NPD6370 Approved
0.7591 Intermediate Similarity NPD7319 Approved
0.7574 Intermediate Similarity NPD7078 Approved
0.7556 Intermediate Similarity NPD7492 Approved
0.7519 Intermediate Similarity NPD6054 Approved
0.75 Intermediate Similarity NPD6616 Approved
0.748 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD1700 Approved
0.7388 Intermediate Similarity NPD6059 Approved
0.7372 Intermediate Similarity NPD7507 Approved
0.7333 Intermediate Similarity NPD6016 Approved
0.7333 Intermediate Similarity NPD6015 Approved
0.7293 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD5988 Approved
0.7259 Intermediate Similarity NPD6319 Approved
0.7109 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD8328 Phase 3
0.708 Intermediate Similarity NPD8033 Approved
0.7068 Intermediate Similarity NPD8133 Approved
0.7059 Intermediate Similarity NPD7516 Approved
0.6992 Remote Similarity NPD6882 Approved
0.6992 Remote Similarity NPD8297 Approved
0.6985 Remote Similarity NPD7327 Approved
0.6985 Remote Similarity NPD7328 Approved
0.6977 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6921 Approved
0.6957 Remote Similarity NPD8379 Approved
0.6957 Remote Similarity NPD8296 Approved
0.6957 Remote Similarity NPD8335 Approved
0.6957 Remote Similarity NPD8378 Approved
0.6957 Remote Similarity NPD8380 Approved
0.6912 Remote Similarity NPD6009 Approved
0.6901 Remote Similarity NPD6033 Approved
0.6884 Remote Similarity NPD8294 Approved
0.6884 Remote Similarity NPD8377 Approved
0.6835 Remote Similarity NPD8513 Phase 3
0.6835 Remote Similarity NPD8517 Approved
0.6835 Remote Similarity NPD8515 Approved
0.6835 Remote Similarity NPD8516 Approved
0.6791 Remote Similarity NPD6650 Approved
0.6791 Remote Similarity NPD6649 Approved
0.6767 Remote Similarity NPD6373 Approved
0.6767 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6767 Remote Similarity NPD6372 Approved
0.6714 Remote Similarity NPD7503 Approved
0.6692 Remote Similarity NPD7320 Approved
0.6692 Remote Similarity NPD6899 Approved
0.6692 Remote Similarity NPD6881 Approved
0.6691 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD7115 Discovery
0.6667 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6402 Approved
0.662 Remote Similarity NPD7604 Phase 2
0.6617 Remote Similarity NPD5697 Approved
0.6617 Remote Similarity NPD6412 Phase 2
0.6593 Remote Similarity NPD7290 Approved
0.6593 Remote Similarity NPD4634 Approved
0.6593 Remote Similarity NPD6883 Approved
0.6593 Remote Similarity NPD7102 Approved
0.6567 Remote Similarity NPD6686 Approved
0.6544 Remote Similarity NPD6847 Approved
0.6544 Remote Similarity NPD6617 Approved
0.6544 Remote Similarity NPD6869 Approved
0.6519 Remote Similarity NPD6014 Approved
0.6519 Remote Similarity NPD6013 Approved
0.6519 Remote Similarity NPD6012 Approved
0.6493 Remote Similarity NPD5701 Approved
0.6479 Remote Similarity NPD5983 Phase 2
0.6444 Remote Similarity NPD6011 Approved
0.6414 Remote Similarity NPD6336 Discontinued
0.6397 Remote Similarity NPD4061 Clinical (unspecified phase)
0.637 Remote Similarity NPD8074 Phase 3
0.6351 Remote Similarity NPD5956 Approved
0.635 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6328 Remote Similarity NPD8171 Discontinued
0.6316 Remote Similarity NPD5211 Phase 2
0.6304 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6304 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6279 Remote Similarity NPD7799 Discontinued
0.6276 Remote Similarity NPD6067 Discontinued
0.6259 Remote Similarity NPD6053 Discontinued
0.6224 Remote Similarity NPD7101 Approved
0.6224 Remote Similarity NPD7100 Approved
0.6222 Remote Similarity NPD5141 Approved
0.6165 Remote Similarity NPD5285 Approved
0.6165 Remote Similarity NPD5286 Approved
0.6165 Remote Similarity NPD4696 Approved
0.6154 Remote Similarity NPD6335 Approved
0.6138 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6138 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6084 Phase 2
0.6136 Remote Similarity NPD4755 Approved
0.6136 Remote Similarity NPD6083 Phase 2
0.6131 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6131 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6127 Remote Similarity NPD6274 Approved
0.6124 Remote Similarity NPD8035 Phase 2
0.6124 Remote Similarity NPD8034 Phase 2
0.6096 Remote Similarity NPD8080 Discontinued
0.6084 Remote Similarity NPD6317 Approved
0.6074 Remote Similarity NPD4633 Approved
0.6074 Remote Similarity NPD5225 Approved
0.6074 Remote Similarity NPD5224 Approved
0.6074 Remote Similarity NPD5226 Approved
0.6045 Remote Similarity NPD4700 Approved
0.6045 Remote Similarity NPD7639 Approved
0.6045 Remote Similarity NPD7640 Approved
0.6042 Remote Similarity NPD6313 Approved
0.6042 Remote Similarity NPD6314 Approved
0.6029 Remote Similarity NPD5174 Approved
0.6029 Remote Similarity NPD5175 Approved
0.6027 Remote Similarity NPD6908 Approved
0.6027 Remote Similarity NPD6909 Approved
0.6 Remote Similarity NPD5223 Approved
0.5972 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5971 Remote Similarity NPD4730 Approved
0.5971 Remote Similarity NPD4729 Approved
0.597 Remote Similarity NPD5696 Approved
0.597 Remote Similarity NPD7638 Approved
0.597 Remote Similarity NPD4225 Approved
0.5962 Remote Similarity NPD6333 Approved
0.5962 Remote Similarity NPD6334 Approved
0.5954 Remote Similarity NPD6399 Phase 3
0.5948 Remote Similarity NPD8338 Approved
0.5942 Remote Similarity NPD4768 Approved
0.5942 Remote Similarity NPD4767 Approved
0.5938 Remote Similarity NPD4250 Approved
0.5938 Remote Similarity NPD4251 Approved
0.5909 Remote Similarity NPD5282 Discontinued
0.5906 Remote Similarity NPD8341 Approved
0.5906 Remote Similarity NPD8340 Approved
0.5906 Remote Similarity NPD8342 Approved
0.5906 Remote Similarity NPD8299 Approved
0.5887 Remote Similarity NPD6371 Approved
0.5887 Remote Similarity NPD5250 Approved
0.5887 Remote Similarity NPD5249 Phase 3
0.5887 Remote Similarity NPD5248 Approved
0.5887 Remote Similarity NPD5247 Approved
0.5887 Remote Similarity NPD5251 Approved
0.5878 Remote Similarity NPD7983 Approved
0.5878 Remote Similarity NPD7637 Suspended
0.5865 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5865 Remote Similarity NPD5695 Phase 3
0.5864 Remote Similarity NPD7625 Phase 1
0.5859 Remote Similarity NPD4249 Approved
0.5811 Remote Similarity NPD8266 Approved
0.5811 Remote Similarity NPD8267 Approved
0.5811 Remote Similarity NPD8268 Approved
0.5811 Remote Similarity NPD8269 Approved
0.5797 Remote Similarity NPD4754 Approved
0.5796 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5793 Remote Similarity NPD6940 Discontinued
0.5793 Remote Similarity NPD6868 Approved
0.5781 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5779 Remote Similarity NPD7260 Phase 2
0.5766 Remote Similarity NPD5344 Discontinued
0.5762 Remote Similarity NPD8451 Approved
0.576 Remote Similarity NPD6928 Phase 2
0.5758 Remote Similarity NPD6411 Approved
0.5745 Remote Similarity NPD5128 Approved
0.5742 Remote Similarity NPD6845 Suspended
0.5734 Remote Similarity NPD5217 Approved
0.5734 Remote Similarity NPD5215 Approved
0.5734 Remote Similarity NPD5216 Approved
0.5733 Remote Similarity NPD7642 Approved
0.5733 Remote Similarity NPD7830 Approved
0.5733 Remote Similarity NPD7829 Approved
0.5726 Remote Similarity NPD6114 Approved
0.5726 Remote Similarity NPD6115 Approved
0.5726 Remote Similarity NPD6697 Approved
0.5726 Remote Similarity NPD6118 Approved
0.5725 Remote Similarity NPD7632 Discontinued
0.5724 Remote Similarity NPD8448 Approved
0.5714 Remote Similarity NPD8392 Approved
0.5714 Remote Similarity NPD5779 Approved
0.5714 Remote Similarity NPD5778 Approved
0.5714 Remote Similarity NPD8391 Approved
0.5714 Remote Similarity NPD8390 Approved
0.5704 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5704 Remote Similarity NPD5222 Approved
0.5704 Remote Similarity NPD4697 Phase 3
0.5704 Remote Similarity NPD5221 Approved
0.5692 Remote Similarity NPD7524 Approved
0.5691 Remote Similarity NPD7685 Pre-registration
0.5686 Remote Similarity NPD8337 Approved
0.5686 Remote Similarity NPD8336 Approved
0.5676 Remote Similarity NPD4522 Approved
0.5664 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5664 Remote Similarity NPD5169 Approved
0.5664 Remote Similarity NPD5135 Approved
0.5662 Remote Similarity NPD5173 Approved
0.5652 Remote Similarity NPD8055 Clinical (unspecified phase)
0.5645 Remote Similarity NPD6116 Phase 1

Structure

External Identifiers

PubChem CID   11354348
ChEMBL   CHEMBL502955
ZINC  

Physicochemical Properties

Molecular Weight:  664.24
ALogP:  -3.6209
MLogP:  3.33
XLogP:  -0.795
# Rotatable Bonds:  17
Polar Surface Area:  195.11
# H-Bond Aceptor:  15
# H-Bond Donor:  2
# Rings:  8
# Heavy Atoms:  47

Download Data

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