Natural Product: NPC97746

Natural Product ID:  NPC97746
Common Name:   Confusameline
IUPAC Name:  
Synonyms:   Confusameline
Molecular Formula:   C12H9NO3
Standard InCHIKey:  AZJIOEVMDIMLQX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H9NO3/c1-15-11-8-3-2-7(14)6-10(8)13-12-9(11)4-5-16-12/h2-6,14H,1H3
Canonical SMILES:  COc1c2ccc(cc2nc2c1cco2)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
NPO20244 Melicope semecarpifolia Species Rutaceae Eukaryota PMID[11575945]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 11.4 % 16378367
NPT2 Others Unspecified Inhibition = 0 % 17993275
NPT2 Others Unspecified Inhibition = 78.6 % 1791472

  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 NPC97746 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
0.9749 High Similarity NPC298436
0.9347 High Similarity NPC269367
0.919 High Similarity NPC217176
0.9163 High Similarity NPC16066
0.9032 High Similarity NPC188400
0.8995 High Similarity NPC205372
0.8945 High Similarity NPC160100
0.8894 High Similarity NPC168922
0.8796 High Similarity NPC34770
0.8756 High Similarity NPC131885
0.8694 High Similarity NPC58209
0.8692 High Similarity NPC140296
0.8655 High Similarity NPC1608
0.8559 High Similarity NPC166712
0.852 High Similarity NPC208364
0.837 Intermediate Similarity NPC173250
0.8333 Intermediate Similarity NPC203373
0.8235 Intermediate Similarity NPC101312
0.8233 Intermediate Similarity NPC247803
0.8157 Intermediate Similarity NPC150239
0.8155 Intermediate Similarity NPC120513
0.801 Intermediate Similarity NPC62069
0.8 Intermediate Similarity NPC308137
0.8 Intermediate Similarity NPC310211
0.7991 Intermediate Similarity NPC174760
0.7974 Intermediate Similarity NPC6786
0.7955 Intermediate Similarity NPC198503
0.7934 Intermediate Similarity NPC249583
0.79 Intermediate Similarity NPC46561
0.789 Intermediate Similarity NPC3207
0.7874 Intermediate Similarity NPC279401
0.7874 Intermediate Similarity NPC79293
0.787 Intermediate Similarity NPC146418
0.787 Intermediate Similarity NPC87413
0.7848 Intermediate Similarity NPC179287
0.7844 Intermediate Similarity NPC116238
0.7843 Intermediate Similarity NPC194040
0.7814 Intermediate Similarity NPC86834
0.7814 Intermediate Similarity NPC210828
0.7788 Intermediate Similarity NPC23294
0.7773 Intermediate Similarity NPC169402
0.7773 Intermediate Similarity NPC280714
0.7742 Intermediate Similarity NPC303951
0.7731 Intermediate Similarity NPC39679
0.771 Intermediate Similarity NPC41216
0.7696 Intermediate Similarity NPC473187
0.7685 Intermediate Similarity NPC4687
0.7673 Intermediate Similarity NPC283152
0.7668 Intermediate Similarity NPC469439
0.7644 Intermediate Similarity NPC314633
0.7633 Intermediate Similarity NPC66083
0.7628 Intermediate Similarity NPC317572
0.7623 Intermediate Similarity NPC208084
0.7617 Intermediate Similarity NPC78609
0.7611 Intermediate Similarity NPC473449
0.7591 Intermediate Similarity NPC264176
0.756 Intermediate Similarity NPC45389
0.7558 Intermediate Similarity NPC45190
0.7537 Intermediate Similarity NPC288943
0.7531 Intermediate Similarity NPC89549
0.7469 Intermediate Similarity NPC230683
0.7443 Intermediate Similarity NPC198160
0.7443 Intermediate Similarity NPC193238
0.7441 Intermediate Similarity NPC469390
0.7432 Intermediate Similarity NPC203168
0.7421 Intermediate Similarity NPC219664
0.7417 Intermediate Similarity NPC134637
0.7402 Intermediate Similarity NPC303225
0.7401 Intermediate Similarity NPC60621
0.7386 Intermediate Similarity NPC67401
0.7364 Intermediate Similarity NPC321428
0.7362 Intermediate Similarity NPC477587
0.7362 Intermediate Similarity NPC477589
0.7359 Intermediate Similarity NPC194740
0.7345 Intermediate Similarity NPC184408
0.7333 Intermediate Similarity NPC61350
0.7328 Intermediate Similarity NPC209981
0.7318 Intermediate Similarity NPC300156
0.7309 Intermediate Similarity NPC187501
0.7309 Intermediate Similarity NPC220337
0.7306 Intermediate Similarity NPC134848
0.7303 Intermediate Similarity NPC91868
0.7303 Intermediate Similarity NPC63971
0.73 Intermediate Similarity NPC477588
0.73 Intermediate Similarity NPC477590
0.73 Intermediate Similarity NPC477586
0.73 Intermediate Similarity NPC477585
0.7297 Intermediate Similarity NPC174758
0.7286 Intermediate Similarity NPC42591
0.7284 Intermediate Similarity NPC471762
0.7281 Intermediate Similarity NPC128115
0.7277 Intermediate Similarity NPC116178
0.7269 Intermediate Similarity NPC99891
0.7269 Intermediate Similarity NPC88923
0.7269 Intermediate Similarity NPC315634
0.7269 Intermediate Similarity NPC303658
0.7269 Intermediate Similarity NPC100734
0.7269 Intermediate Similarity NPC119134
0.7261 Intermediate Similarity NPC161801
0.726 Intermediate Similarity NPC66815
0.7257 Intermediate Similarity NPC474183
0.7257 Intermediate Similarity NPC470784
0.7247 Intermediate Similarity NPC185197
0.7244 Intermediate Similarity NPC321166
0.7244 Intermediate Similarity NPC217903
0.7243 Intermediate Similarity NPC114039
0.7243 Intermediate Similarity NPC206109
0.724 Intermediate Similarity NPC472287
0.724 Intermediate Similarity NPC472286
0.7235 Intermediate Similarity NPC112937
0.7229 Intermediate Similarity NPC21638
0.7225 Intermediate Similarity NPC305984
0.722 Intermediate Similarity NPC107123
0.7215 Intermediate Similarity NPC184680
0.7212 Intermediate Similarity NPC118228
0.7208 Intermediate Similarity NPC291609
0.7207 Intermediate Similarity NPC183777
0.7207 Intermediate Similarity NPC53344
0.7206 Intermediate Similarity NPC284685
0.7205 Intermediate Similarity NPC225279
0.7202 Intermediate Similarity NPC165964
0.7189 Intermediate Similarity NPC471978
0.7189 Intermediate Similarity NPC243834
0.7189 Intermediate Similarity NPC70956
0.7188 Intermediate Similarity NPC470020
0.7186 Intermediate Similarity NPC122436
0.7185 Intermediate Similarity NPC470785
0.7182 Intermediate Similarity NPC475112
0.7182 Intermediate Similarity NPC291535
0.7182 Intermediate Similarity NPC295898
0.7182 Intermediate Similarity NPC475085
0.7175 Intermediate Similarity NPC470931
0.7171 Intermediate Similarity NPC471979
0.7168 Intermediate Similarity NPC39500
0.7167 Intermediate Similarity NPC124300
0.7162 Intermediate Similarity NPC476106
0.7156 Intermediate Similarity NPC294375
0.7156 Intermediate Similarity NPC9894
0.7149 Intermediate Similarity NPC474701
0.7143 Intermediate Similarity NPC174672
0.7137 Intermediate Similarity NPC274640
0.7137 Intermediate Similarity NPC66777
0.713 Intermediate Similarity NPC283117
0.713 Intermediate Similarity NPC230403
0.713 Intermediate Similarity NPC270918
0.7126 Intermediate Similarity NPC472589
0.7124 Intermediate Similarity NPC472098
0.7124 Intermediate Similarity NPC12344
0.7118 Intermediate Similarity NPC264285
0.7115 Intermediate Similarity NPC84347
0.7112 Intermediate Similarity NPC51388
0.7111 Intermediate Similarity NPC314834
0.7108 Intermediate Similarity NPC191489
0.7105 Intermediate Similarity NPC274982
0.7105 Intermediate Similarity NPC152768
0.7105 Intermediate Similarity NPC148183
0.7104 Intermediate Similarity NPC135887
0.7104 Intermediate Similarity NPC199277
0.7104 Intermediate Similarity NPC288759
0.7104 Intermediate Similarity NPC15987
0.7102 Intermediate Similarity NPC473188
0.71 Intermediate Similarity NPC280799
0.7089 Intermediate Similarity NPC473105
0.708 Intermediate Similarity NPC282346
0.7078 Intermediate Similarity NPC472284
0.7078 Intermediate Similarity NPC310618
0.7078 Intermediate Similarity NPC306376
0.7076 Intermediate Similarity NPC474688
0.7075 Intermediate Similarity NPC320394
0.7074 Intermediate Similarity NPC293151
0.7072 Intermediate Similarity NPC469440
0.7072 Intermediate Similarity NPC53144
0.7069 Intermediate Similarity NPC144452
0.7064 Intermediate Similarity NPC246381
0.7059 Intermediate Similarity NPC253675
0.7056 Intermediate Similarity NPC323969
0.7054 Intermediate Similarity NPC315545
0.7054 Intermediate Similarity NPC314297
0.7054 Intermediate Similarity NPC475844
0.705 Intermediate Similarity NPC26872
0.7045 Intermediate Similarity NPC472588
0.7042 Intermediate Similarity NPC241025
0.704 Intermediate Similarity NPC473833
0.7036 Intermediate Similarity NPC227824
0.7033 Intermediate Similarity NPC183537
0.7033 Intermediate Similarity NPC302807
0.703 Intermediate Similarity NPC26850
0.7028 Intermediate Similarity NPC258048
0.7026 Intermediate Similarity NPC329830
0.7017 Intermediate Similarity NPC172222
0.7013 Intermediate Similarity NPC74360
0.7009 Intermediate Similarity NPC315638
0.7009 Intermediate Similarity NPC313796
0.7009 Intermediate Similarity NPC313345
0.7009 Intermediate Similarity NPC314855
0.7005 Intermediate Similarity NPC114335
0.7005 Intermediate Similarity NPC280964
0.7005 Intermediate Similarity NPC141915
0.7004 Intermediate Similarity NPC260434
0.7 Intermediate Similarity NPC235685

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC97746 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
0.8095 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7972 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7832 Intermediate Similarity NPD1505 Phase 2
0.7623 Intermediate Similarity NPD6974 Phase 3
0.7602 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD7417 Discontinued
0.7545 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD3925 Approved
0.75 Intermediate Similarity NPD2779 Approved
0.75 Intermediate Similarity NPD648 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD3258 Approved
0.7465 Intermediate Similarity NPD5512 Phase 3
0.7458 Intermediate Similarity NPD6716 Phase 1
0.7457 Intermediate Similarity NPD4373 Phase 2
0.7446 Intermediate Similarity NPD6962 Phase 2
0.7415 Intermediate Similarity NPD6790 Phase 1
0.7403 Intermediate Similarity NPD4952 Phase 3
0.7371 Intermediate Similarity NPD1867 Approved
0.7368 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD5293 Phase 2
0.7366 Intermediate Similarity NPD3257 Approved
0.7361 Intermediate Similarity NPD2778 Approved
0.7328 Intermediate Similarity NPD4898 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD3507 Phase 2
0.7316 Intermediate Similarity NPD4328 Approved
0.7309 Intermediate Similarity NPD5416 Discontinued
0.7292 Intermediate Similarity NPD5488 Discontinued
0.7273 Intermediate Similarity NPD5482 Discontinued
0.7269 Intermediate Similarity NPD7803 Approved
0.7269 Intermediate Similarity NPD5632 Approved
0.7246 Intermediate Similarity NPD7853 Phase 2
0.7238 Intermediate Similarity NPD1483 Discontinued
0.7225 Intermediate Similarity NPD4204 Approved
0.7225 Intermediate Similarity NPD4203 Approved
0.7206 Intermediate Similarity NPD7956 Approved
0.7206 Intermediate Similarity NPD7955 Approved
0.7205 Intermediate Similarity NPD7180 Phase 3
0.7198 Intermediate Similarity NPD3263 Phase 3
0.7193 Intermediate Similarity NPD7395 Discontinued
0.7188 Intermediate Similarity NPD1166 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD7547 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD3259 Approved
0.7162 Intermediate Similarity NPD4305 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD8102 Discontinued
0.7156 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD6247 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD1466 Phase 3
0.7149 Intermediate Similarity NPD1467 Approved
0.7137 Intermediate Similarity NPD7538 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD2951 Discontinued
0.713 Intermediate Similarity NPD7222 Phase 2
0.713 Intermediate Similarity NPD5429 Discontinued
0.7108 Intermediate Similarity NPD7708 Approved
0.7106 Intermediate Similarity NPD5924 Discontinued
0.7087 Intermediate Similarity NPD4724 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD7703 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD8359 Phase 2
0.7064 Intermediate Similarity NPD6550 Discontinued
0.7061 Intermediate Similarity NPD4667 Clinical (unspecified phase)
0.7046 Intermediate Similarity NPD7031 Phase 1
0.7045 Intermediate Similarity NPD8463 Approved
0.7022 Intermediate Similarity NPD2916 Discontinued
0.7018 Intermediate Similarity NPD3945 Discontinued
0.7018 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5805 Approved
0.6979 Remote Similarity NPD7426 Phase 1
0.6978 Remote Similarity NPD7453 Approved
0.6978 Remote Similarity NPD7452 Approved
0.6974 Remote Similarity NPD7069 Discontinued
0.6967 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6964 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6962 Remote Similarity NPD5479 Discontinued
0.6962 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6951 Remote Similarity NPD4369 Phase 2
0.6941 Remote Similarity NPD4418 Discontinued
0.6929 Remote Similarity NPD5450 Discontinued
0.6926 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6926 Remote Similarity NPD5922 Phase 3
0.6907 Remote Similarity NPD5640 Discontinued
0.69 Remote Similarity NPD5866 Approved
0.6897 Remote Similarity NPD1926 Approved
0.6892 Remote Similarity NPD6874 Approved
0.6892 Remote Similarity NPD8091 Phase 3
0.6891 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6889 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6878 Remote Similarity NPD5003 Discontinued
0.6875 Remote Similarity NPD7558 Phase 2
0.687 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7859 Phase 2
0.6866 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6864 Remote Similarity NPD6491 Clinical (unspecified phase)
0.6864 Remote Similarity NPD6590 Discontinued
0.6858 Remote Similarity NPD3003 Approved
0.6853 Remote Similarity NPD8255 Phase 2
0.6851 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6849 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6964 Approved
0.6846 Remote Similarity NPD6963 Approved
0.6844 Remote Similarity NPD5513 Phase 2
0.684 Remote Similarity NPD4926 Clinical (unspecified phase)
0.684 Remote Similarity NPD4897 Phase 2
0.6824 Remote Similarity NPD6198 Phase 1
0.682 Remote Similarity NPD5022 Discontinued
0.6816 Remote Similarity NPD1768 Approved
0.6805 Remote Similarity NPD6494 Phase 2
0.6805 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6802 Remote Similarity NPD6988 Phase 1
0.6795 Remote Similarity NPD3875 Discontinued
0.6793 Remote Similarity NPD6246 Approved
0.6792 Remote Similarity NPD7284 Clinical (unspecified phase)
0.679 Remote Similarity NPD4368 Phase 2
0.6784 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6784 Remote Similarity NPD3842 Clinical (unspecified phase)
0.6781 Remote Similarity NPD5443 Clinical (unspecified phase)
0.6781 Remote Similarity NPD3949 Clinical (unspecified phase)
0.6781 Remote Similarity NPD4989 Phase 2
0.678 Remote Similarity NPD2285 Clinical (unspecified phase)
0.6774 Remote Similarity NPD3328 Phase 2
0.6773 Remote Similarity NPD5532 Phase 2
0.6772 Remote Similarity NPD6228 Discontinued
0.6772 Remote Similarity NPD6531 Approved
0.6772 Remote Similarity NPD6530 Approved
0.6766 Remote Similarity NPD8479 Phase 2
0.6766 Remote Similarity NPD6242 Discontinued
0.6763 Remote Similarity NPD7796 Approved
0.6763 Remote Similarity NPD7797 Approved
0.6758 Remote Similarity NPD2565 Phase 2
0.6758 Remote Similarity NPD2564 Approved
0.6737 Remote Similarity NPD4923 Phase 1
0.6734 Remote Similarity NPD5817 Discontinued
0.6729 Remote Similarity NPD3920 Phase 2
0.6725 Remote Similarity NPD5658 Approved
0.6722 Remote Similarity NPD5139 Phase 1
0.6721 Remote Similarity NPD6495 Clinical (unspecified phase)
0.672 Remote Similarity NPD6475 Phase 2
0.6706 Remote Similarity NPD6252 Clinical (unspecified phase)
0.6697 Remote Similarity NPD5256 Discontinued
0.6695 Remote Similarity NPD1638 Discovery
0.6694 Remote Similarity NPD4885 Approved
0.6692 Remote Similarity NPD8108 Approved
0.6681 Remote Similarity NPD4429 Discontinued
0.668 Remote Similarity NPD1659 Phase 1
0.668 Remote Similarity NPD4981 Phase 2
0.6667 Remote Similarity NPD4613 Phase 2
0.6667 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5507 Approved
0.6667 Remote Similarity NPD3037 Phase 1
0.6667 Remote Similarity NPD5857 Phase 3
0.6667 Remote Similarity NPD7885 Phase 2
0.6667 Remote Similarity NPD3392 Approved
0.6667 Remote Similarity NPD5506 Approved
0.6667 Remote Similarity NPD7886 Phase 2
0.6667 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8016 Phase 3
0.6667 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6654 Remote Similarity NPD8459 Approved
0.6654 Remote Similarity NPD8460 Approved
0.6652 Remote Similarity NPD7467 Discontinued
0.6651 Remote Similarity NPD5398 Clinical (unspecified phase)
0.6642 Remote Similarity NPD8107 Approved
0.6642 Remote Similarity NPD7181 Phase 3
0.6639 Remote Similarity NPD6995 Phase 1
0.6638 Remote Similarity NPD7001 Phase 3
0.6638 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6638 Remote Similarity NPD4502 Phase 2
0.6637 Remote Similarity NPD3395 Approved
0.6637 Remote Similarity NPD3396 Approved
0.6636 Remote Similarity NPD2792 Approved
0.6624 Remote Similarity NPD5903 Approved
0.6624 Remote Similarity NPD5902 Approved
0.6623 Remote Similarity NPD4506 Discontinued
0.6623 Remote Similarity NPD7064 Clinical (unspecified phase)
0.6622 Remote Similarity NPD6569 Phase 2
0.6622 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6614 Remote Similarity NPD4558 Phase 2
0.6612 Remote Similarity NPD3006 Discontinued
0.661 Remote Similarity NPD3354 Phase 2
0.6609 Remote Similarity NPD1392 Approved
0.6609 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6605 Remote Similarity NPD6642 Approved
0.6605 Remote Similarity NPD6641 Approved
0.6598 Remote Similarity NPD7994 Phase 2
0.6596 Remote Similarity NPD5612 Discontinued
0.6592 Remote Similarity NPD4539 Phase 1
0.6587 Remote Similarity NPD3986 Discontinued
0.6582 Remote Similarity NPD7194 Discontinued
0.6582 Remote Similarity NPD2884 Phase 1
0.6582 Remote Similarity NPD2899 Discontinued
0.6581 Remote Similarity NPD3243 Approved
0.6575 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6574 Remote Similarity NPD1503 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6276 Discontinued
0.657 Remote Similarity NPD5014 Discontinued
0.6569 Remote Similarity NPD6209 Approved
0.6567 Remote Similarity NPD6220 Phase 3
0.6566 Remote Similarity NPD8466 Approved
0.6566 Remote Similarity NPD8467 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL503574
ZINC  

Physicochemical Properties

Molecular Weight:  215.06
ALogP:  -0.6662
MLogP:  2.34
XLogP:  1.549
# Rotatable Bonds:  3
Polar Surface Area:  55.49
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

Download Data

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