Natural Product: NPC134637

Natural Product ID:  NPC134637
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C14H11NO4
Standard InCHIKey:  HEWGKRJMANHDTQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H11NO4/c1-6-3-4-15-12-9(6)14(18)10-7(16)5-8(19-2)13(17)11(10)12/h3-5,16-17H,1-2H3
Canonical SMILES:  COc1cc(O)c2c(c1O)c1nccc(c1C2=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
NPO22920 Mitrephora diversifolia Species Annonaceae Eukaryota Australia PMID[19591451]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Activity = 80 % 24273638
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Activity = 87 % 24273638

  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 NPC134637 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
0.9136 High Similarity NPC246381
0.8913 High Similarity NPC107123
0.8578 High Similarity NPC119134
0.8426 Intermediate Similarity NPC15406
0.8319 Intermediate Similarity NPC174049
0.8216 Intermediate Similarity NPC77878
0.8216 Intermediate Similarity NPC183537
0.8216 Intermediate Similarity NPC302807
0.807 Intermediate Similarity NPC473822
0.8051 Intermediate Similarity NPC90875
0.8043 Intermediate Similarity NPC233334
0.8008 Intermediate Similarity NPC124313
0.7939 Intermediate Similarity NPC146976
0.7925 Intermediate Similarity NPC84164
0.7925 Intermediate Similarity NPC207283
0.7895 Intermediate Similarity NPC236668
0.7884 Intermediate Similarity NPC210296
0.7881 Intermediate Similarity NPC24019
0.7875 Intermediate Similarity NPC166722
0.78 Intermediate Similarity NPC129897
0.7783 Intermediate Similarity NPC224928
0.7778 Intermediate Similarity NPC122463
0.7773 Intermediate Similarity NPC202605
0.7773 Intermediate Similarity NPC112206
0.7764 Intermediate Similarity NPC270515
0.7759 Intermediate Similarity NPC189903
0.7759 Intermediate Similarity NPC182907
0.7747 Intermediate Similarity NPC132385
0.7718 Intermediate Similarity NPC108342
0.7709 Intermediate Similarity NPC193238
0.7702 Intermediate Similarity NPC210434
0.7699 Intermediate Similarity NPC201508
0.7692 Intermediate Similarity NPC469439
0.7652 Intermediate Similarity NPC220241
0.7652 Intermediate Similarity NPC295479
0.7635 Intermediate Similarity NPC22481
0.7628 Intermediate Similarity NPC473833
0.7617 Intermediate Similarity NPC54066
0.7607 Intermediate Similarity NPC134702
0.7585 Intermediate Similarity NPC253314
0.7562 Intermediate Similarity NPC255800
0.7562 Intermediate Similarity NPC96584
0.7562 Intermediate Similarity NPC172222
0.7544 Intermediate Similarity NPC210256
0.7532 Intermediate Similarity NPC470020
0.7529 Intermediate Similarity NPC282346
0.7511 Intermediate Similarity NPC118189
0.751 Intermediate Similarity NPC1608
0.751 Intermediate Similarity NPC278525
0.75 Intermediate Similarity NPC471978
0.7479 Intermediate Similarity NPC2905
0.7479 Intermediate Similarity NPC217176
0.747 Intermediate Similarity NPC475301
0.747 Intermediate Similarity NPC478045
0.747 Intermediate Similarity NPC326930
0.7469 Intermediate Similarity NPC476997
0.7467 Intermediate Similarity NPC36229
0.7467 Intermediate Similarity NPC16452
0.7467 Intermediate Similarity NPC476581
0.746 Intermediate Similarity NPC160100
0.746 Intermediate Similarity NPC188400
0.7459 Intermediate Similarity NPC35208
0.7459 Intermediate Similarity NPC253675
0.7458 Intermediate Similarity NPC182853
0.7449 Intermediate Similarity NPC217554
0.7448 Intermediate Similarity NPC94842
0.7441 Intermediate Similarity NPC318068
0.7441 Intermediate Similarity NPC13603
0.7438 Intermediate Similarity NPC476996
0.7438 Intermediate Similarity NPC476998
0.7438 Intermediate Similarity NPC469792
0.7437 Intermediate Similarity NPC76478
0.7436 Intermediate Similarity NPC114468
0.743 Intermediate Similarity NPC284141
0.7426 Intermediate Similarity NPC74360
0.7425 Intermediate Similarity NPC220337
0.7417 Intermediate Similarity NPC97746
0.7413 Intermediate Similarity NPC471979
0.7409 Intermediate Similarity NPC253482
0.7404 Intermediate Similarity NPC148391
0.7402 Intermediate Similarity NPC85879
0.7402 Intermediate Similarity NPC53255
0.7397 Intermediate Similarity NPC476994
0.7395 Intermediate Similarity NPC101312
0.7388 Intermediate Similarity NPC475426
0.7386 Intermediate Similarity NPC285254
0.7381 Intermediate Similarity NPC203373
0.7368 Intermediate Similarity NPC11408
0.7366 Intermediate Similarity NPC195268
0.7366 Intermediate Similarity NPC56170
0.7366 Intermediate Similarity NPC133140
0.7362 Intermediate Similarity NPC471015
0.736 Intermediate Similarity NPC180668
0.736 Intermediate Similarity NPC471013
0.736 Intermediate Similarity NPC148896
0.7336 Intermediate Similarity NPC289905
0.7336 Intermediate Similarity NPC155792
0.7336 Intermediate Similarity NPC31930
0.7336 Intermediate Similarity NPC316065
0.7333 Intermediate Similarity NPC118121
0.7328 Intermediate Similarity NPC476995
0.7328 Intermediate Similarity NPC473639
0.7326 Intermediate Similarity NPC215837
0.7325 Intermediate Similarity NPC280714
0.732 Intermediate Similarity NPC475648
0.7319 Intermediate Similarity NPC202768
0.7319 Intermediate Similarity NPC296482
0.7319 Intermediate Similarity NPC53069
0.7314 Intermediate Similarity NPC473506
0.7308 Intermediate Similarity NPC315634
0.7308 Intermediate Similarity NPC88923
0.7308 Intermediate Similarity NPC100734
0.7303 Intermediate Similarity NPC76565
0.7303 Intermediate Similarity NPC322482
0.7301 Intermediate Similarity NPC146724
0.7297 Intermediate Similarity NPC328928
0.7297 Intermediate Similarity NPC209981
0.7292 Intermediate Similarity NPC7560
0.7291 Intermediate Similarity NPC208522
0.7287 Intermediate Similarity NPC191489
0.7284 Intermediate Similarity NPC475631
0.7284 Intermediate Similarity NPC475600
0.7284 Intermediate Similarity NPC74575
0.7284 Intermediate Similarity NPC87152
0.7284 Intermediate Similarity NPC476110
0.728 Intermediate Similarity NPC148409
0.7273 Intermediate Similarity NPC91868
0.7273 Intermediate Similarity NPC475137
0.7273 Intermediate Similarity NPC63971
0.7273 Intermediate Similarity NPC475498
0.7269 Intermediate Similarity NPC168922
0.7254 Intermediate Similarity NPC470486
0.7254 Intermediate Similarity NPC471190
0.7254 Intermediate Similarity NPC471977
0.7254 Intermediate Similarity NPC475644
0.7249 Intermediate Similarity NPC476582
0.7249 Intermediate Similarity NPC476578
0.7249 Intermediate Similarity NPC4071
0.7246 Intermediate Similarity NPC96405
0.7246 Intermediate Similarity NPC171409
0.7244 Intermediate Similarity NPC10904
0.7238 Intermediate Similarity NPC173080
0.7237 Intermediate Similarity NPC472589
0.7237 Intermediate Similarity NPC120513
0.7233 Intermediate Similarity NPC475315
0.7233 Intermediate Similarity NPC324619
0.7232 Intermediate Similarity NPC44354
0.7231 Intermediate Similarity NPC250807
0.7231 Intermediate Similarity NPC57797
0.722 Intermediate Similarity NPC89549
0.7217 Intermediate Similarity NPC234197
0.7215 Intermediate Similarity NPC268223
0.7213 Intermediate Similarity NPC477787
0.7213 Intermediate Similarity NPC328186
0.7213 Intermediate Similarity NPC122968
0.7213 Intermediate Similarity NPC146824
0.7213 Intermediate Similarity NPC475601
0.7213 Intermediate Similarity NPC228377
0.7208 Intermediate Similarity NPC298436
0.7205 Intermediate Similarity NPC127085
0.7202 Intermediate Similarity NPC473850
0.72 Intermediate Similarity NPC41501
0.7195 Intermediate Similarity NPC475303
0.7195 Intermediate Similarity NPC473689
0.7195 Intermediate Similarity NPC475596
0.7195 Intermediate Similarity NPC150698
0.7195 Intermediate Similarity NPC292416
0.7195 Intermediate Similarity NPC96801
0.7194 Intermediate Similarity NPC475533
0.7194 Intermediate Similarity NPC58209
0.7184 Intermediate Similarity NPC475362
0.7177 Intermediate Similarity NPC34770
0.7174 Intermediate Similarity NPC287437
0.7173 Intermediate Similarity NPC316981
0.7172 Intermediate Similarity NPC470018
0.7168 Intermediate Similarity NPC469390
0.7167 Intermediate Similarity NPC204446
0.7166 Intermediate Similarity NPC30456
0.7166 Intermediate Similarity NPC319880
0.7166 Intermediate Similarity NPC244839
0.7166 Intermediate Similarity NPC320324
0.7166 Intermediate Similarity NPC49547
0.7162 Intermediate Similarity NPC90229
0.716 Intermediate Similarity NPC472588
0.716 Intermediate Similarity NPC122436
0.7148 Intermediate Similarity NPC470042
0.7143 Intermediate Similarity NPC211920
0.7143 Intermediate Similarity NPC124029
0.7143 Intermediate Similarity NPC266931
0.7143 Intermediate Similarity NPC474594
0.7143 Intermediate Similarity NPC61350
0.7143 Intermediate Similarity NPC477019
0.7137 Intermediate Similarity NPC237702
0.7137 Intermediate Similarity NPC206109
0.7137 Intermediate Similarity NPC114039
0.7126 Intermediate Similarity NPC316841
0.712 Intermediate Similarity NPC470022
0.7115 Intermediate Similarity NPC284685
0.7108 Intermediate Similarity NPC327769
0.7108 Intermediate Similarity NPC475406

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC134637 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
0.8783 High Similarity NPD1483 Discontinued
0.7878 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7549 Intermediate Similarity NPD8091 Phase 3
0.7426 Intermediate Similarity NPD2899 Discontinued
0.7393 Intermediate Similarity NPD7862 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD3921 Approved
0.7366 Intermediate Similarity NPD3924 Approved
0.7366 Intermediate Similarity NPD3923 Approved
0.7366 Intermediate Similarity NPD3922 Approved
0.7319 Intermediate Similarity NPD7069 Discontinued
0.7319 Intermediate Similarity NPD3816 Phase 1
0.7319 Intermediate Similarity NPD3815 Phase 1
0.7309 Intermediate Similarity NPD6790 Phase 1
0.7308 Intermediate Similarity NPD7803 Approved
0.7288 Intermediate Similarity NPD7571 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD7708 Approved
0.72 Intermediate Similarity NPD7885 Phase 2
0.72 Intermediate Similarity NPD7886 Phase 2
0.716 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD4373 Phase 2
0.7137 Intermediate Similarity NPD6494 Phase 2
0.7115 Intermediate Similarity NPD7955 Approved
0.7115 Intermediate Similarity NPD7956 Approved
0.7085 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD3217 Phase 2
0.7061 Intermediate Similarity NPD3925 Approved
0.7036 Intermediate Similarity NPD7417 Discontinued
0.7016 Intermediate Similarity NPD4952 Phase 3
0.7004 Intermediate Similarity NPD8350 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5488 Discontinued
0.6948 Remote Similarity NPD5022 Discontinued
0.6946 Remote Similarity NPD648 Clinical (unspecified phase)
0.6926 Remote Similarity NPD3763 Approved
0.6905 Remote Similarity NPD6964 Approved
0.6905 Remote Similarity NPD6963 Approved
0.6894 Remote Similarity NPD6228 Discontinued
0.6889 Remote Similarity NPD3386 Phase 2
0.6885 Remote Similarity NPD4429 Discontinued
0.6883 Remote Similarity NPD6361 Phase 2
0.6877 Remote Similarity NPD3006 Discontinued
0.6875 Remote Similarity NPD3920 Phase 2
0.6853 Remote Similarity NPD6962 Phase 2
0.6853 Remote Similarity NPD1505 Phase 2
0.685 Remote Similarity NPD5805 Approved
0.6846 Remote Similarity NPD5482 Discontinued
0.6844 Remote Similarity NPD4989 Phase 2
0.684 Remote Similarity NPD7654 Discontinued
0.6829 Remote Similarity NPD6242 Discontinued
0.6829 Remote Similarity NPD8479 Phase 2
0.6827 Remote Similarity NPD5640 Discontinued
0.68 Remote Similarity NPD3259 Approved
0.68 Remote Similarity NPD1620 Clinical (unspecified phase)
0.6794 Remote Similarity NPD7859 Phase 2
0.6777 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6776 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5513 Phase 2
0.676 Remote Similarity NPD3263 Phase 3
0.6748 Remote Similarity NPD6198 Phase 1
0.6748 Remote Similarity NPD3354 Phase 2
0.6744 Remote Similarity NPD6716 Phase 1
0.6739 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6738 Remote Similarity NPD4551 Phase 2
0.6733 Remote Similarity NPD4845 Discontinued
0.6704 Remote Similarity NPD6530 Approved
0.6704 Remote Similarity NPD6531 Approved
0.6693 Remote Similarity NPD7426 Phase 1
0.6692 Remote Similarity NPD5483 Clinical (unspecified phase)
0.668 Remote Similarity NPD5866 Approved
0.6679 Remote Similarity NPD4369 Phase 2
0.6667 Remote Similarity NPD4036 Approved
0.6667 Remote Similarity NPD4033 Approved
0.6667 Remote Similarity NPD31 Approved
0.6667 Remote Similarity NPD4035 Approved
0.6667 Remote Similarity NPD5612 Discontinued
0.6667 Remote Similarity NPD5914 Approved
0.6667 Remote Similarity NPD4037 Approved
0.6667 Remote Similarity NPD4034 Approved
0.6667 Remote Similarity NPD4038 Approved
0.6667 Remote Similarity NPD32 Approved
0.6667 Remote Similarity NPD7558 Phase 2
0.6667 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4039 Approved
0.6667 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4122 Approved
0.6667 Remote Similarity NPD7414 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6654 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6653 Remote Similarity NPD956 Clinical (unspecified phase)
0.6643 Remote Similarity NPD6745 Discontinued
0.6641 Remote Similarity NPD6276 Discontinued
0.664 Remote Similarity NPD2285 Clinical (unspecified phase)
0.6639 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6629 Remote Similarity NPD7169 Suspended
0.6623 Remote Similarity NPD4375 Approved
0.6615 Remote Similarity NPD4876 Phase 3
0.6615 Remote Similarity NPD4875 Phase 3
0.6613 Remote Similarity NPD6568 Discontinued
0.6613 Remote Similarity NPD7395 Discontinued
0.6613 Remote Similarity NPD1926 Approved
0.6602 Remote Similarity NPD4561 Discontinued
0.6596 Remote Similarity NPD1038 Approved
0.6593 Remote Similarity NPD1923 Clinical (unspecified phase)
0.6584 Remote Similarity NPD5658 Approved
0.6583 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7673 Phase 3
0.6571 Remote Similarity NPD683 Approved
0.6568 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6566 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6872 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7690 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7031 Phase 1
0.6559 Remote Similarity NPD5293 Phase 2
0.6557 Remote Similarity NPD7924 Phase 2
0.6557 Remote Similarity NPD7925 Phase 2
0.6552 Remote Similarity NPD6517 Phase 3
0.655 Remote Similarity NPD9510 Approved
0.6544 Remote Similarity NPD5450 Discontinued
0.6537 Remote Similarity NPD7922 Phase 1
0.6535 Remote Similarity NPD5751 Clinical (unspecified phase)
0.6534 Remote Similarity NPD5147 Discontinued
0.6534 Remote Similarity NPD5507 Approved
0.6534 Remote Similarity NPD5506 Approved
0.6532 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6525 Remote Similarity NPD4846 Phase 2
0.652 Remote Similarity NPD3258 Approved
0.6519 Remote Similarity NPD5867 Clinical (unspecified phase)
0.6509 Remote Similarity NPD4889 Approved
0.6506 Remote Similarity NPD8461 Discontinued
0.6506 Remote Similarity NPD5050 Approved
0.6504 Remote Similarity NPD7927 Clinical (unspecified phase)
0.6502 Remote Similarity NPD6230 Discontinued
0.6502 Remote Similarity NPD5601 Phase 2
0.65 Remote Similarity NPD484 Approved
0.65 Remote Similarity NPD7416 Clinical (unspecified phase)
0.65 Remote Similarity NPD6825 Phase 1
0.6498 Remote Similarity NPD4885 Approved
0.6492 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6489 Remote Similarity NPD3322 Phase 1
0.6484 Remote Similarity NPD8052 Clinical (unspecified phase)
0.6483 Remote Similarity NPD6569 Phase 2
0.6475 Remote Similarity NPD1392 Approved
0.6475 Remote Similarity NPD7222 Phase 2
0.6473 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4328 Approved
0.6471 Remote Similarity NPD5512 Phase 3
0.6466 Remote Similarity NPD3986 Discontinued
0.6461 Remote Similarity NPD4795 Phase 2
0.6459 Remote Similarity NPD8067 Phase 3
0.6456 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6454 Remote Similarity NPD5519 Discontinued
0.6453 Remote Similarity NPD9364 Phase 2
0.6453 Remote Similarity NPD9363 Approved
0.6452 Remote Similarity NPD3794 Approved
0.6452 Remote Similarity NPD3795 Approved
0.6448 Remote Similarity NPD7807 Clinical (unspecified phase)
0.6446 Remote Similarity NPD5005 Approved
0.6446 Remote Similarity NPD5006 Approved
0.6443 Remote Similarity NPD1954 Phase 1
0.6443 Remote Similarity NPD1856 Discontinued
0.644 Remote Similarity NPD3949 Clinical (unspecified phase)
0.6439 Remote Similarity NPD6709 Phase 3
0.6437 Remote Similarity NPD4131 Phase 3
0.6437 Remote Similarity NPD4502 Phase 2
0.6435 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6434 Remote Similarity NPD5530 Phase 1
0.6432 Remote Similarity NPD1740 Approved
0.6432 Remote Similarity NPD6219 Discontinued
0.6432 Remote Similarity NPD1739 Approved
0.6429 Remote Similarity NPD3395 Approved
0.6429 Remote Similarity NPD4418 Discontinued
0.6429 Remote Similarity NPD5930 Phase 3
0.6429 Remote Similarity NPD3396 Approved
0.6426 Remote Similarity NPD4897 Phase 2
0.6426 Remote Similarity NPD3257 Approved
0.6426 Remote Similarity NPD2792 Approved
0.6426 Remote Similarity NPD7689 Approved
0.6423 Remote Similarity NPD4437 Phase 3
0.6415 Remote Similarity NPD8468 Phase 2
0.6414 Remote Similarity NPD5632 Approved
0.6412 Remote Similarity NPD8016 Phase 3
0.6412 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6412 Remote Similarity NPD4613 Phase 2
0.6408 Remote Similarity NPD5429 Discontinued
0.6406 Remote Similarity NPD4086 Phase 1
0.6404 Remote Similarity NPD3809 Discontinued
0.6403 Remote Similarity NPD4923 Phase 1
0.6397 Remote Similarity NPD5726 Clinical (unspecified phase)
0.6394 Remote Similarity NPD5532 Phase 2
0.6393 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6393 Remote Similarity NPD2831 Approved
0.639 Remote Similarity NPD6874 Approved
0.6382 Remote Similarity NPD2510 Approved
0.6382 Remote Similarity NPD2509 Approved
0.6381 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6379 Remote Similarity NPD4203 Approved
0.6379 Remote Similarity NPD4204 Approved
0.6378 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6375 Remote Similarity NPD2952 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1077856
ZINC  

Physicochemical Properties

Molecular Weight:  257.07
ALogP:  -0.5942
MLogP:  2.45
XLogP:  0.521
# Rotatable Bonds:  5
Polar Surface Area:  79.65
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

Download Data

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