Natural Product: NPC71236

Natural Product ID:  NPC71236
Common Name:   1-Methylpyrrole-2-Carbaldehyde
IUPAC Name:   1-methylpyrrole-2-carbaldehyde
Synonyms:  
Molecular Formula:   C6H7NO
Standard InCHIKey:  OUKQTRFCDKSEPL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
Canonical SMILES:  O=Cc1cccn1C
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
NPO1099 Capparis spinosa Species Capparaceae Eukaryota aerial parts and buds Cagliari, Sardinia 2012-FEB PMID[22769561]
NPO7727 Momordicae fructus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 > 1000 ug/ml 22769561

  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 NPC71236 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
0.9457 High Similarity NPC472288
0.9154 High Similarity NPC23215
0.8984 High Similarity NPC313823
0.8722 High Similarity NPC291517
0.8138 Intermediate Similarity NPC472260
0.8134 Intermediate Similarity NPC471589
0.7857 Intermediate Similarity NPC64661
0.7857 Intermediate Similarity NPC98156
0.7857 Intermediate Similarity NPC195704
0.7857 Intermediate Similarity NPC200397
0.7857 Intermediate Similarity NPC167200
0.7857 Intermediate Similarity NPC14448
0.7857 Intermediate Similarity NPC292434
0.7857 Intermediate Similarity NPC138596
0.7815 Intermediate Similarity NPC473706
0.7808 Intermediate Similarity NPC100726
0.7667 Intermediate Similarity NPC33229
0.7613 Intermediate Similarity NPC114637
0.7586 Intermediate Similarity NPC101130
0.7586 Intermediate Similarity NPC114033
0.7586 Intermediate Similarity NPC58268
0.7586 Intermediate Similarity NPC129412
0.7584 Intermediate Similarity NPC473878
0.7532 Intermediate Similarity NPC242116
0.7517 Intermediate Similarity NPC205604
0.7517 Intermediate Similarity NPC97230
0.7517 Intermediate Similarity NPC286529
0.7517 Intermediate Similarity NPC12831
0.7517 Intermediate Similarity NPC74928
0.7517 Intermediate Similarity NPC59839
0.7517 Intermediate Similarity NPC48171
0.7517 Intermediate Similarity NPC302717
0.7517 Intermediate Similarity NPC77582
0.7517 Intermediate Similarity NPC129753
0.7517 Intermediate Similarity NPC169308
0.7517 Intermediate Similarity NPC3698
0.7517 Intermediate Similarity NPC244087
0.7517 Intermediate Similarity NPC209281
0.75 Intermediate Similarity NPC302159
0.748 Intermediate Similarity NPC231655
0.7432 Intermediate Similarity NPC467188
0.7417 Intermediate Similarity NPC470679
0.7417 Intermediate Similarity NPC217021
0.7403 Intermediate Similarity NPC80681
0.7358 Intermediate Similarity NPC54214
0.7351 Intermediate Similarity NPC471655
0.7325 Intermediate Similarity NPC42372
0.732 Intermediate Similarity NPC209362
0.7285 Intermediate Similarity NPC102664
0.7273 Intermediate Similarity NPC20021
0.7248 Intermediate Similarity NPC230085
0.7248 Intermediate Similarity NPC159630
0.7219 Intermediate Similarity NPC105811
0.7215 Intermediate Similarity NPC233380
0.7208 Intermediate Similarity NPC474236
0.719 Intermediate Similarity NPC70406
0.7171 Intermediate Similarity NPC13432
0.716 Intermediate Similarity NPC293216
0.7153 Intermediate Similarity NPC330326
0.7143 Intermediate Similarity NPC251391
0.7143 Intermediate Similarity NPC83987
0.7126 Intermediate Similarity NPC295158
0.7124 Intermediate Similarity NPC313889
0.7108 Intermediate Similarity NPC270834
0.7103 Intermediate Similarity NPC150592
0.7097 Intermediate Similarity NPC298288
0.7091 Intermediate Similarity NPC314281
0.7091 Intermediate Similarity NPC40530
0.7086 Intermediate Similarity NPC260041
0.7078 Intermediate Similarity NPC109158
0.7075 Intermediate Similarity NPC65408
0.7055 Intermediate Similarity NPC469529
0.7032 Intermediate Similarity NPC312860
0.7025 Intermediate Similarity NPC100104
0.7025 Intermediate Similarity NPC470680
0.7019 Intermediate Similarity NPC70949
0.7006 Intermediate Similarity NPC27296
0.7006 Intermediate Similarity NPC102755
0.7006 Intermediate Similarity NPC213914
0.6993 Remote Similarity NPC112741
0.6988 Remote Similarity NPC73994
0.6987 Remote Similarity NPC229055
0.6987 Remote Similarity NPC263455
0.697 Remote Similarity NPC83774
0.6959 Remote Similarity NPC114310
0.6957 Remote Similarity NPC41717
0.6948 Remote Similarity NPC123906
0.6947 Remote Similarity NPC76540
0.6946 Remote Similarity NPC470677
0.6943 Remote Similarity NPC74357
0.6937 Remote Similarity NPC265100
0.6923 Remote Similarity NPC107287
0.6905 Remote Similarity NPC159125
0.6901 Remote Similarity NPC209917
0.6886 Remote Similarity NPC61011
0.6886 Remote Similarity NPC477042
0.6863 Remote Similarity NPC167400
0.6857 Remote Similarity NPC182570
0.6857 Remote Similarity NPC48564
0.6857 Remote Similarity NPC265605
0.6855 Remote Similarity NPC474492
0.6832 Remote Similarity NPC306160
0.6832 Remote Similarity NPC476418
0.6829 Remote Similarity NPC273532
0.68 Remote Similarity NPC104049
0.6791 Remote Similarity NPC27802
0.6772 Remote Similarity NPC75135
0.6766 Remote Similarity NPC284775
0.6765 Remote Similarity NPC110158
0.6765 Remote Similarity NPC46895
0.6746 Remote Similarity NPC191415
0.6735 Remote Similarity NPC256893
0.673 Remote Similarity NPC169586
0.6728 Remote Similarity NPC206148
0.6725 Remote Similarity NPC241025
0.6724 Remote Similarity NPC210123
0.6721 Remote Similarity NPC14223
0.6689 Remote Similarity NPC322488
0.6687 Remote Similarity NPC474383
0.6686 Remote Similarity NPC476527
0.6667 Remote Similarity NPC328029
0.6667 Remote Similarity NPC477003
0.6648 Remote Similarity NPC474767
0.6648 Remote Similarity NPC477045
0.6646 Remote Similarity NPC293487
0.6645 Remote Similarity NPC85443
0.6642 Remote Similarity NPC473901
0.6627 Remote Similarity NPC226835
0.6627 Remote Similarity NPC249614
0.6627 Remote Similarity NPC253810
0.6627 Remote Similarity NPC262338
0.6626 Remote Similarity NPC478182
0.6623 Remote Similarity NPC150259
0.6589 Remote Similarity NPC213774
0.6588 Remote Similarity NPC182940
0.6584 Remote Similarity NPC76982
0.6571 Remote Similarity NPC297486
0.6571 Remote Similarity NPC471402
0.6571 Remote Similarity NPC240136
0.657 Remote Similarity NPC207851
0.6569 Remote Similarity NPC235843
0.6568 Remote Similarity NPC237188
0.6568 Remote Similarity NPC157583
0.6564 Remote Similarity NPC478185
0.6556 Remote Similarity NPC81535
0.6548 Remote Similarity NPC97106
0.6545 Remote Similarity NPC56233
0.6532 Remote Similarity NPC282103
0.6528 Remote Similarity NPC46358
0.6527 Remote Similarity NPC476421
0.6527 Remote Similarity NPC227489
0.6527 Remote Similarity NPC28096
0.6524 Remote Similarity NPC274981
0.6522 Remote Similarity NPC142688
0.6517 Remote Similarity NPC93390
0.6516 Remote Similarity NPC190296
0.651 Remote Similarity NPC82295
0.6509 Remote Similarity NPC476419
0.65 Remote Similarity NPC477041
0.65 Remote Similarity NPC477044
0.65 Remote Similarity NPC281094
0.6494 Remote Similarity NPC118084
0.6494 Remote Similarity NPC238499
0.6491 Remote Similarity NPC317010
0.6483 Remote Similarity NPC27740
0.648 Remote Similarity NPC77061
0.6479 Remote Similarity NPC11863
0.6477 Remote Similarity NPC268966
0.6471 Remote Similarity NPC234987
0.6471 Remote Similarity NPC84827
0.6471 Remote Similarity NPC145885
0.6471 Remote Similarity NPC14113
0.6463 Remote Similarity NPC165370
0.645 Remote Similarity NPC469938
0.6448 Remote Similarity NPC106757
0.6448 Remote Similarity NPC57398
0.6447 Remote Similarity NPC29886
0.6447 Remote Similarity NPC261195
0.6446 Remote Similarity NPC478183
0.6444 Remote Similarity NPC78767
0.6444 Remote Similarity NPC473814
0.6442 Remote Similarity NPC113812
0.6441 Remote Similarity NPC476460
0.6433 Remote Similarity NPC314372
0.6433 Remote Similarity NPC285731
0.6429 Remote Similarity NPC110126
0.6429 Remote Similarity NPC84268
0.6429 Remote Similarity NPC73767
0.6424 Remote Similarity NPC478184
0.6412 Remote Similarity NPC136441
0.6405 Remote Similarity NPC84911
0.6395 Remote Similarity NPC24864
0.6395 Remote Similarity NPC79777
0.6391 Remote Similarity NPC80528
0.6386 Remote Similarity NPC115232
0.6386 Remote Similarity NPC2414
0.6384 Remote Similarity NPC154339
0.6378 Remote Similarity NPC88115
0.6375 Remote Similarity NPC52110
0.6374 Remote Similarity NPC473380

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC71236 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
0.7868 Intermediate Similarity NPD1031 Discontinued
0.7817 Intermediate Similarity NPD569 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD1568 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD180 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD272 Approved
0.748 Intermediate Similarity NPD9099 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD9098 Phase 3
0.7303 Intermediate Similarity NPD9343 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD175 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD9100 Approved
0.7075 Intermediate Similarity NPD200 Phase 2
0.7075 Intermediate Similarity NPD201 Phase 2
0.707 Intermediate Similarity NPD1630 Approved
0.7047 Intermediate Similarity NPD9599 Approved
0.7047 Intermediate Similarity NPD107 Approved
0.7034 Intermediate Similarity NPD1627 Clinical (unspecified phase)
0.6993 Remote Similarity NPD9271 Approved
0.694 Remote Similarity NPD4823 Approved
0.694 Remote Similarity NPD4824 Approved
0.6937 Remote Similarity NPD1631 Approved
0.6934 Remote Similarity NPD9396 Approved
0.6934 Remote Similarity NPD9392 Approved
0.6883 Remote Similarity NPD1270 Approved
0.6867 Remote Similarity NPD4804 Approved
0.6863 Remote Similarity NPD9075 Approved
0.6863 Remote Similarity NPD9074 Approved
0.686 Remote Similarity NPD5685 Approved
0.686 Remote Similarity NPD5686 Approved
0.6857 Remote Similarity NPD9598 Discontinued
0.6857 Remote Similarity NPD271 Approved
0.6857 Remote Similarity NPD268 Approved
0.6857 Remote Similarity NPD270 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6845 Remote Similarity NPD3178 Discontinued
0.681 Remote Similarity NPD1343 Approved
0.6792 Remote Similarity NPD820 Phase 3
0.6781 Remote Similarity NPD3475 Approved
0.6781 Remote Similarity NPD3476 Approved
0.6779 Remote Similarity NPD206 Clinical (unspecified phase)
0.6776 Remote Similarity NPD4805 Approved
0.6768 Remote Similarity NPD1573 Approved
0.6768 Remote Similarity NPD1575 Approved
0.6746 Remote Similarity NPD4011 Clinical (unspecified phase)
0.6746 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6707 Remote Similarity NPD1292 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1096 Discontinued
0.6667 Remote Similarity NPD4436 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3607 Clinical (unspecified phase)
0.6647 Remote Similarity NPD1586 Approved
0.6646 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6646 Remote Similarity NPD4174 Clinical (unspecified phase)
0.6597 Remote Similarity NPD9357 Approved
0.6587 Remote Similarity NPD750 Phase 2
0.6582 Remote Similarity NPD7913 Clinical (unspecified phase)
0.6575 Remote Similarity NPD2118 Approved
0.6575 Remote Similarity NPD2119 Approved
0.6573 Remote Similarity NPD2289 Phase 3
0.6573 Remote Similarity NPD2290 Phase 3
0.6564 Remote Similarity NPD5400 Approved
0.6552 Remote Similarity NPD4988 Discontinued
0.6547 Remote Similarity NPD60 Approved
0.6547 Remote Similarity NPD269 Clinical (unspecified phase)
0.6541 Remote Similarity NPD510 Phase 1
0.6536 Remote Similarity NPD174 Discontinued
0.6529 Remote Similarity NPD1587 Approved
0.6512 Remote Similarity NPD7401 Clinical (unspecified phase)
0.6509 Remote Similarity NPD3238 Discontinued
0.6507 Remote Similarity NPD9583 Approved
0.65 Remote Similarity NPD7459 Phase 2
0.6494 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6494 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6488 Remote Similarity NPD4524 Discontinued
0.6484 Remote Similarity NPD5017 Discontinued
0.6474 Remote Similarity NPD751 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2753 Discontinued
0.6471 Remote Similarity NPD9076 Clinical (unspecified phase)
0.6461 Remote Similarity NPD460 Discontinued
0.6454 Remote Similarity NPD8840 Approved
0.6452 Remote Similarity NPD5020 Approved
0.6424 Remote Similarity NPD4030 Approved
0.6424 Remote Similarity NPD4029 Approved
0.6424 Remote Similarity NPD4028 Approved
0.6419 Remote Similarity NPD1095 Clinical (unspecified phase)
0.6402 Remote Similarity NPD6454 Clinical (unspecified phase)
0.64 Remote Similarity NPD803 Phase 1
0.6395 Remote Similarity NPD3927 Phase 2
0.6395 Remote Similarity NPD1643 Phase 3
0.6389 Remote Similarity NPD4848 Phase 1
0.6387 Remote Similarity NPD2222 Discontinued
0.6364 Remote Similarity NPD2896 Discontinued
0.6358 Remote Similarity NPD2061 Approved
0.6352 Remote Similarity NPD1004 Phase 2
0.6352 Remote Similarity NPD1005 Phase 2
0.6351 Remote Similarity NPD991 Phase 2
0.6351 Remote Similarity NPD9284 Approved
0.6351 Remote Similarity NPD992 Clinical (unspecified phase)
0.6345 Remote Similarity NPD748 Clinical (unspecified phase)
0.634 Remote Similarity NPD198 Clinical (unspecified phase)
0.6333 Remote Similarity NPD715 Phase 3
0.6323 Remote Similarity NPD786 Approved
0.6319 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6316 Remote Similarity NPD749 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3944 Approved
0.6316 Remote Similarity NPD3942 Approved
0.6306 Remote Similarity NPD3717 Discontinued
0.6294 Remote Similarity NPD1037 Clinical (unspecified phase)
0.6291 Remote Similarity NPD9726 Discontinued
0.629 Remote Similarity NPD6288 Clinical (unspecified phase)
0.629 Remote Similarity NPD3947 Discontinued
0.6286 Remote Similarity NPD7564 Discontinued
0.6267 Remote Similarity NPD3654 Approved
0.6267 Remote Similarity NPD9305 Clinical (unspecified phase)
0.6264 Remote Similarity NPD1952 Discontinued
0.6258 Remote Similarity NPD203 Clinical (unspecified phase)
0.6258 Remote Similarity NPD2809 Approved
0.6257 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6257 Remote Similarity NPD1658 Discontinued
0.6257 Remote Similarity NPD482 Approved
0.625 Remote Similarity NPD4547 Phase 3
0.6243 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6243 Remote Similarity NPD1600 Suspended
0.6243 Remote Similarity NPD3432 Approved
0.6243 Remote Similarity NPD7704 Clinical (unspecified phase)
0.6242 Remote Similarity NPD9080 Approved
0.6228 Remote Similarity NPD8129 Discovery
0.6222 Remote Similarity NPD7098 Clinical (unspecified phase)
0.6213 Remote Similarity NPD4640 Approved
0.6213 Remote Similarity NPD4639 Approved
0.6213 Remote Similarity NPD4638 Approved
0.6205 Remote Similarity NPD2511 Approved
0.6203 Remote Similarity NPD2006 Phase 2
0.6201 Remote Similarity NPD1905 Clinical (unspecified phase)
0.619 Remote Similarity NPD2915 Discontinued
0.6188 Remote Similarity NPD7469 Discontinued
0.6178 Remote Similarity NPD1395 Clinical (unspecified phase)
0.6168 Remote Similarity NPD6771 Discontinued
0.6164 Remote Similarity NPD649 Clinical (unspecified phase)
0.6163 Remote Similarity NPD4883 Approved
0.6162 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4643 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7944 Discontinued
0.6154 Remote Similarity NPD1380 Discovery
0.6154 Remote Similarity NPD6446 Discontinued
0.6154 Remote Similarity NPD1623 Approved
0.6149 Remote Similarity NPD4703 Approved
0.6149 Remote Similarity NPD4702 Approved
0.6145 Remote Similarity NPD704 Clinical (unspecified phase)
0.614 Remote Similarity NPD754 Clinical (unspecified phase)
0.6139 Remote Similarity NPD1722 Approved
0.6133 Remote Similarity NPD981 Phase 2
0.6131 Remote Similarity NPD3583 Phase 2
0.6131 Remote Similarity NPD1545 Discontinued
0.6131 Remote Similarity NPD5088 Discontinued
0.6127 Remote Similarity NPD4385 Clinical (unspecified phase)
0.6124 Remote Similarity NPD5809 Phase 3
0.6121 Remote Similarity NPD276 Clinical (unspecified phase)
0.612 Remote Similarity NPD1851 Clinical (unspecified phase)
0.6118 Remote Similarity NPD9207 Approved
0.6118 Remote Similarity NPD9206 Approved
0.6117 Remote Similarity NPD6987 Phase 1
0.6115 Remote Similarity NPD2071 Approved
0.6115 Remote Similarity NPD2073 Approved
0.6115 Remote Similarity NPD2075 Approved
0.6115 Remote Similarity NPD2074 Approved
0.6115 Remote Similarity NPD2068 Approved
0.6115 Remote Similarity NPD2070 Approved
0.6115 Remote Similarity NPD2072 Approved
0.6115 Remote Similarity NPD2069 Approved
0.6114 Remote Similarity NPD1618 Phase 2
0.6111 Remote Similarity NPD3100 Discontinued
0.6108 Remote Similarity NPD6137 Clinical (unspecified phase)
0.6104 Remote Similarity NPD3385 Approved
0.6096 Remote Similarity NPD2879 Approved
0.6096 Remote Similarity NPD2881 Approved
0.6092 Remote Similarity NPD5755 Clinical (unspecified phase)
0.609 Remote Similarity NPD9506 Approved
0.6085 Remote Similarity NPD7289 Clinical (unspecified phase)
0.6085 Remote Similarity NPD2008 Discontinued
0.6084 Remote Similarity NPD2582 Approved
0.6084 Remote Similarity NPD2581 Approved
0.6084 Remote Similarity NPD4326 Phase 2
0.6078 Remote Similarity NPD809 Discontinued
0.6067 Remote Similarity NPD5555 Phase 1
0.6067 Remote Similarity NPD1308 Approved
0.6064 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6053 Remote Similarity NPD1506 Discontinued
0.6053 Remote Similarity NPD3839 Phase 2
0.6053 Remote Similarity NPD3840 Phase 2
0.6049 Remote Similarity NPD2089 Clinical (unspecified phase)
0.6045 Remote Similarity NPD2095 Phase 2
0.6045 Remote Similarity NPD2094 Phase 2
0.6045 Remote Similarity NPD2092 Phase 2
0.6038 Remote Similarity NPD1383 Phase 3
0.6038 Remote Similarity NPD1382 Phase 2
0.6034 Remote Similarity NPD4075 Phase 2
0.6034 Remote Similarity NPD5104 Approved
0.6034 Remote Similarity NPD6471 Clinical (unspecified phase)
0.6032 Remote Similarity NPD3247 Clinical (unspecified phase)
0.6031 Remote Similarity NPD6787 Phase 2

Structure

External Identifiers

PubChem CID   14504
ChEMBL   CHEMBL2229659
ZINC  

Physicochemical Properties

Molecular Weight:  109.05
ALogP:  -0.0769
MLogP:  1.9
XLogP:  1.1
# Rotatable Bonds:  2
Polar Surface Area:  22
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  8

Download Data

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