Natural Product: NPC121708

Natural Product ID:  NPC121708
Common Name:   Benzaldehyde Oxime
IUPAC Name:   (NE)-N-benzylidenehydroxylamine
Synonyms:   Benzaldehyde Oxime
Molecular Formula:   C7H7NO
Standard InCHIKey:  VTWKXBJHBHYJBI-SOFGYWHQSA-N
Standard InCHI:  InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+
Canonical SMILES:  O/N=C/c1ccccc1
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
NPO24940 Allii sativi bulbus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Activity = 15.5 % 23916150
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Activity = 10 % 23916150
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 37 % 23916150

  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 NPC121708 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 NPC125144
0.7361 Intermediate Similarity NPC50266
0.7353 Intermediate Similarity NPC277704
0.7353 Intermediate Similarity NPC149436
0.7317 Intermediate Similarity NPC14326
0.7294 Intermediate Similarity NPC471638
0.7273 Intermediate Similarity NPC244738
0.7246 Intermediate Similarity NPC269586
0.7246 Intermediate Similarity NPC198841
0.7237 Intermediate Similarity NPC219246
0.7237 Intermediate Similarity NPC229235
0.7229 Intermediate Similarity NPC146703
0.7179 Intermediate Similarity NPC299134
0.7143 Intermediate Similarity NPC65873
0.7143 Intermediate Similarity NPC212114
0.7143 Intermediate Similarity NPC300345
0.7143 Intermediate Similarity NPC120441
0.7093 Intermediate Similarity NPC198747
0.7073 Intermediate Similarity NPC192623
0.7059 Intermediate Similarity NPC3210
0.7042 Intermediate Similarity NPC114327
0.7042 Intermediate Similarity NPC36357
0.7042 Intermediate Similarity NPC8235
0.6977 Remote Similarity NPC203076
0.6962 Remote Similarity NPC112609
0.6962 Remote Similarity NPC122327
0.6962 Remote Similarity NPC113000
0.6944 Remote Similarity NPC147062
0.6944 Remote Similarity NPC169110
0.6944 Remote Similarity NPC147578
0.6897 Remote Similarity NPC473031
0.6889 Remote Similarity NPC265521
0.6883 Remote Similarity NPC200936
0.6875 Remote Similarity NPC276699
0.6875 Remote Similarity NPC98976
0.6849 Remote Similarity NPC45255
0.6849 Remote Similarity NPC150196
0.6849 Remote Similarity NPC238023
0.6849 Remote Similarity NPC54368
0.6849 Remote Similarity NPC248705
0.6849 Remote Similarity NPC246588
0.6849 Remote Similarity NPC135924
0.6849 Remote Similarity NPC210849
0.6849 Remote Similarity NPC200624
0.6849 Remote Similarity NPC310758
0.6842 Remote Similarity NPC52330
0.6818 Remote Similarity NPC325441
0.6818 Remote Similarity NPC12429
0.6806 Remote Similarity NPC64270
0.679 Remote Similarity NPC139658
0.679 Remote Similarity NPC271642
0.6757 Remote Similarity NPC66517
0.6757 Remote Similarity NPC22786
0.6757 Remote Similarity NPC29680
0.6757 Remote Similarity NPC200745
0.6757 Remote Similarity NPC71009
0.6753 Remote Similarity NPC82770
0.6753 Remote Similarity NPC239931
0.6753 Remote Similarity NPC78954
0.6742 Remote Similarity NPC470877
0.6707 Remote Similarity NPC325662
0.6707 Remote Similarity NPC290638
0.6707 Remote Similarity NPC98269
0.6667 Remote Similarity NPC3371
0.6667 Remote Similarity NPC159178
0.6667 Remote Similarity NPC21211
0.6667 Remote Similarity NPC475573
0.6667 Remote Similarity NPC78041
0.6667 Remote Similarity NPC316108
0.6667 Remote Similarity NPC74936
0.6667 Remote Similarity NPC258627
0.6667 Remote Similarity NPC471307
0.6667 Remote Similarity NPC121872
0.6667 Remote Similarity NPC209764
0.6667 Remote Similarity NPC172128
0.6667 Remote Similarity NPC88566
0.6667 Remote Similarity NPC113670
0.6667 Remote Similarity NPC141139
0.6667 Remote Similarity NPC475289
0.6627 Remote Similarity NPC12857
0.66 Remote Similarity NPC309982
0.6596 Remote Similarity NPC33168
0.6593 Remote Similarity NPC226438
0.6593 Remote Similarity NPC245259
0.6579 Remote Similarity NPC155172
0.6579 Remote Similarity NPC32312
0.6579 Remote Similarity NPC198023
0.6579 Remote Similarity NPC291066
0.6538 Remote Similarity NPC311343
0.6538 Remote Similarity NPC181786
0.6522 Remote Similarity NPC323164
0.6515 Remote Similarity NPC11150
0.65 Remote Similarity NPC208302
0.65 Remote Similarity NPC155429
0.6494 Remote Similarity NPC36440
0.6494 Remote Similarity NPC178527
0.6471 Remote Similarity NPC309279
0.6456 Remote Similarity NPC16190
0.6456 Remote Similarity NPC98880
0.6456 Remote Similarity NPC169222
0.6456 Remote Similarity NPC235059
0.6452 Remote Similarity NPC471309
0.6447 Remote Similarity NPC45756
0.6444 Remote Similarity NPC262393
0.6437 Remote Similarity NPC474088
0.641 Remote Similarity NPC6107
0.641 Remote Similarity NPC267443
0.6395 Remote Similarity NPC471376
0.6395 Remote Similarity NPC231986
0.6386 Remote Similarity NPC110264
0.6383 Remote Similarity NPC58674
0.6383 Remote Similarity NPC161972
0.6383 Remote Similarity NPC303045
0.6375 Remote Similarity NPC95289
0.6341 Remote Similarity NPC108218
0.6327 Remote Similarity NPC318154
0.6316 Remote Similarity NPC25565
0.6296 Remote Similarity NPC74458
0.6296 Remote Similarity NPC326200
0.6282 Remote Similarity NPC113837
0.6282 Remote Similarity NPC289915
0.6265 Remote Similarity NPC32203
0.6265 Remote Similarity NPC206800
0.6265 Remote Similarity NPC189371
0.625 Remote Similarity NPC5324
0.625 Remote Similarity NPC213570
0.625 Remote Similarity NPC104070
0.625 Remote Similarity NPC473206
0.625 Remote Similarity NPC246822
0.625 Remote Similarity NPC472258
0.625 Remote Similarity NPC139416
0.625 Remote Similarity NPC119677
0.625 Remote Similarity NPC473501
0.625 Remote Similarity NPC475439
0.625 Remote Similarity NPC311242
0.622 Remote Similarity NPC271437
0.622 Remote Similarity NPC285679
0.619 Remote Similarity NPC302129
0.6186 Remote Similarity NPC315921
0.618 Remote Similarity NPC133162
0.618 Remote Similarity NPC169016
0.6173 Remote Similarity NPC72670
0.6173 Remote Similarity NPC251490
0.6173 Remote Similarity NPC263385
0.6154 Remote Similarity NPC53492
0.6154 Remote Similarity NPC305602
0.6154 Remote Similarity NPC264470
0.6154 Remote Similarity NPC17497
0.6145 Remote Similarity NPC208075
0.6139 Remote Similarity NPC211551
0.6129 Remote Similarity NPC78154
0.6118 Remote Similarity NPC66655
0.6105 Remote Similarity NPC7067
0.6098 Remote Similarity NPC1008
0.6098 Remote Similarity NPC280135
0.6098 Remote Similarity NPC193578
0.6098 Remote Similarity NPC87099
0.6098 Remote Similarity NPC39799
0.6098 Remote Similarity NPC135433
0.6098 Remote Similarity NPC158028
0.6098 Remote Similarity NPC226999
0.6061 Remote Similarity NPC328793
0.6061 Remote Similarity NPC469457
0.6047 Remote Similarity NPC50192
0.6047 Remote Similarity NPC224544
0.6044 Remote Similarity NPC258046
0.6042 Remote Similarity NPC108339
0.6024 Remote Similarity NPC1901
0.6024 Remote Similarity NPC212463
0.6024 Remote Similarity NPC54269
0.6 Remote Similarity NPC175393
0.6 Remote Similarity NPC78500
0.5979 Remote Similarity NPC471319
0.5979 Remote Similarity NPC471320
0.5979 Remote Similarity NPC317400
0.5978 Remote Similarity NPC211237
0.5978 Remote Similarity NPC60408
0.5977 Remote Similarity NPC469894
0.5962 Remote Similarity NPC153690
0.596 Remote Similarity NPC12730
0.5957 Remote Similarity NPC476160
0.5952 Remote Similarity NPC258492
0.5952 Remote Similarity NPC96835
0.5941 Remote Similarity NPC202613
0.5941 Remote Similarity NPC471317
0.5941 Remote Similarity NPC471310
0.5938 Remote Similarity NPC469330
0.593 Remote Similarity NPC245966
0.593 Remote Similarity NPC3672
0.593 Remote Similarity NPC329318
0.593 Remote Similarity NPC9796
0.593 Remote Similarity NPC179726
0.593 Remote Similarity NPC287790
0.593 Remote Similarity NPC298023
0.5926 Remote Similarity NPC22760
0.5909 Remote Similarity NPC127343
0.5909 Remote Similarity NPC184030
0.5909 Remote Similarity NPC328178
0.5909 Remote Similarity NPC164449
0.5882 Remote Similarity NPC224610

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC121708 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
0.7558 Intermediate Similarity NPD517 Discontinued
0.7273 Intermediate Similarity NPD9728 Phase 1
0.726 Intermediate Similarity NPD173 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD472 Approved
0.7111 Intermediate Similarity NPD1081 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD1275 Phase 2
0.6962 Remote Similarity NPD9594 Approved
0.6962 Remote Similarity NPD505 Clinical (unspecified phase)
0.6962 Remote Similarity NPD9591 Approved
0.6962 Remote Similarity NPD9589 Approved
0.6962 Remote Similarity NPD9592 Approved
0.6962 Remote Similarity NPD9588 Approved
0.6962 Remote Similarity NPD80 Approved
0.6962 Remote Similarity NPD9593 Approved
0.6962 Remote Similarity NPD9590 Approved
0.6897 Remote Similarity NPD187 Approved
0.6889 Remote Similarity NPD159 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1101 Approved
0.6771 Remote Similarity NPD557 Discovery
0.6709 Remote Similarity NPD294 Approved
0.6709 Remote Similarity NPD292 Approved
0.6707 Remote Similarity NPD603 Approved
0.6707 Remote Similarity NPD4144 Approved
0.6707 Remote Similarity NPD4147 Approved
0.6667 Remote Similarity NPD675 Discontinued
0.6667 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6627 Remote Similarity NPD79 Approved
0.6627 Remote Similarity NPD9393 Approved
0.6627 Remote Similarity NPD9563 Approved
0.6627 Remote Similarity NPD9564 Approved
0.6627 Remote Similarity NPD9397 Approved
0.6627 Remote Similarity NPD293 Approved
0.6627 Remote Similarity NPD295 Approved
0.6627 Remote Similarity NPD296 Approved
0.6596 Remote Similarity NPD9488 Approved
0.6596 Remote Similarity NPD9489 Approved
0.6548 Remote Similarity NPD1053 Approved
0.6548 Remote Similarity NPD508 Approved
0.6548 Remote Similarity NPD1052 Approved
0.6548 Remote Similarity NPD1051 Approved
0.6548 Remote Similarity NPD507 Approved
0.6526 Remote Similarity NPD9710 Approved
0.6526 Remote Similarity NPD9711 Approved
0.6522 Remote Similarity NPD1814 Approved
0.6522 Remote Similarity NPD1812 Approved
0.6522 Remote Similarity NPD6690 Approved
0.6517 Remote Similarity NPD9538 Approved
0.6495 Remote Similarity NPD2841 Approved
0.6495 Remote Similarity NPD1737 Approved
0.6495 Remote Similarity NPD1736 Approved
0.6495 Remote Similarity NPD1735 Approved
0.6471 Remote Similarity NPD1617 Discontinued
0.6471 Remote Similarity NPD3904 Approved
0.6471 Remote Similarity NPD5371 Approved
0.6471 Remote Similarity NPD3903 Approved
0.6471 Remote Similarity NPD3981 Approved
0.6471 Remote Similarity NPD5372 Approved
0.6471 Remote Similarity NPD3979 Approved
0.6471 Remote Similarity NPD260 Discontinued
0.6458 Remote Similarity NPD9712 Approved
0.6452 Remote Similarity NPD1080 Approved
0.6452 Remote Similarity NPD1066 Discontinued
0.6437 Remote Similarity NPD4000 Phase 3
0.6429 Remote Similarity NPD1396 Approved
0.6395 Remote Similarity NPD4027 Approved
0.6395 Remote Similarity NPD3035 Approved
0.6395 Remote Similarity NPD4026 Approved
0.6392 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6383 Remote Similarity NPD4814 Discontinued
0.6354 Remote Similarity NPD9482 Approved
0.6354 Remote Similarity NPD9480 Approved
0.6354 Remote Similarity NPD9481 Approved
0.6353 Remote Similarity NPD589 Approved
0.6353 Remote Similarity NPD590 Approved
0.6344 Remote Similarity NPD752 Approved
0.6327 Remote Similarity NPD2483 Discontinued
0.6322 Remote Similarity NPD4170 Approved
0.6322 Remote Similarity NPD4169 Approved
0.6322 Remote Similarity NPD4701 Clinical (unspecified phase)
0.6265 Remote Similarity NPD9716 Approved
0.625 Remote Similarity NPD2001 Discontinued
0.625 Remote Similarity NPD2487 Clinical (unspecified phase)
0.625 Remote Similarity NPD830 Approved
0.625 Remote Similarity NPD4635 Approved
0.625 Remote Similarity NPD831 Approved
0.625 Remote Similarity NPD1800 Clinical (unspecified phase)
0.6237 Remote Similarity NPD530 Approved
0.6222 Remote Similarity NPD304 Approved
0.6222 Remote Similarity NPD305 Approved
0.62 Remote Similarity NPD179 Clinical (unspecified phase)
0.6196 Remote Similarity NPD1629 Approved
0.6196 Remote Similarity NPD1628 Approved
0.6186 Remote Similarity NPD9273 Approved
0.618 Remote Similarity NPD785 Approved
0.618 Remote Similarity NPD3429 Approved
0.618 Remote Similarity NPD5178 Approved
0.618 Remote Similarity NPD3427 Approved
0.618 Remote Similarity NPD2539 Approved
0.618 Remote Similarity NPD4544 Approved
0.618 Remote Similarity NPD2538 Approved
0.618 Remote Similarity NPD9395 Approved
0.6176 Remote Similarity NPD1401 Approved
0.617 Remote Similarity NPD9361 Approved
0.6146 Remote Similarity NPD2507 Clinical (unspecified phase)
0.6146 Remote Similarity NPD2895 Discontinued
0.6122 Remote Similarity NPD1067 Discontinued
0.6118 Remote Similarity NPD9294 Approved
0.6111 Remote Similarity NPD2208 Approved
0.6111 Remote Similarity NPD9505 Clinical (unspecified phase)
0.6111 Remote Similarity NPD2205 Approved
0.6111 Remote Similarity NPD5916 Discontinued
0.6105 Remote Similarity NPD719 Approved
0.6105 Remote Similarity NPD720 Approved
0.6105 Remote Similarity NPD199 Approved
0.6105 Remote Similarity NPD1409 Phase 3
0.6105 Remote Similarity NPD197 Approved
0.6087 Remote Similarity NPD9186 Approved
0.6087 Remote Similarity NPD9184 Approved
0.6082 Remote Similarity NPD528 Clinical (unspecified phase)
0.6078 Remote Similarity NPD467 Phase 1
0.6061 Remote Similarity NPD9248 Phase 1
0.6044 Remote Similarity NPD4409 Approved
0.6044 Remote Similarity NPD5252 Clinical (unspecified phase)
0.6044 Remote Similarity NPD4406 Approved
0.6044 Remote Similarity NPD4636 Approved
0.6042 Remote Similarity NPD3772 Phase 3
0.6022 Remote Similarity NPD9351 Phase 3
0.6022 Remote Similarity NPD9 Approved
0.6022 Remote Similarity NPD9349 Approved
0.6022 Remote Similarity NPD297 Approved
0.6022 Remote Similarity NPD9350 Approved
0.6022 Remote Similarity NPD9348 Approved
0.602 Remote Similarity NPD4117 Approved
0.6 Remote Similarity NPD4119 Approved
0.5979 Remote Similarity NPD838 Approved
0.5978 Remote Similarity NPD3428 Approved
0.5978 Remote Similarity NPD782 Approved
0.5978 Remote Similarity NPD783 Approved
0.5978 Remote Similarity NPD3426 Approved
0.5978 Remote Similarity NPD781 Approved
0.5978 Remote Similarity NPD2002 Discontinued
0.5978 Remote Similarity NPD780 Approved
0.5978 Remote Similarity NPD4146 Approved
0.5978 Remote Similarity NPD4145 Approved
0.5941 Remote Similarity NPD5103 Approved
0.5938 Remote Similarity NPD837 Approved
0.5918 Remote Similarity NPD1875 Phase 1
0.5915 Remote Similarity NPD9072 Clinical (unspecified phase)
0.5914 Remote Similarity NPD588 Approved
0.5914 Remote Similarity NPD5675 Discontinued
0.5914 Remote Similarity NPD531 Approved
0.5914 Remote Similarity NPD587 Approved
0.5914 Remote Similarity NPD3345 Approved
0.5889 Remote Similarity NPD262 Approved
0.5889 Remote Similarity NPD263 Approved
0.5872 Remote Similarity NPD224 Phase 2
0.587 Remote Similarity NPD3099 Discontinued
0.5862 Remote Similarity NPD227 Approved
0.5862 Remote Similarity NPD225 Approved
0.5859 Remote Similarity NPD1724 Approved
0.5854 Remote Similarity NPD1673 Approved
0.5851 Remote Similarity NPD5656 Clinical (unspecified phase)
0.5851 Remote Similarity NPD771 Phase 3
0.5849 Remote Similarity NPD9280 Clinical (unspecified phase)
0.5843 Remote Similarity NPD9250 Approved
0.5843 Remote Similarity NPD226 Approved
0.5842 Remote Similarity NPD5716 Approved
0.5842 Remote Similarity NPD1417 Approved
0.5842 Remote Similarity NPD1419 Approved
0.5825 Remote Similarity NPD5717 Approved
0.5825 Remote Similarity NPD563 Approved
0.5825 Remote Similarity NPD564 Approved
0.5825 Remote Similarity NPD999 Phase 2
0.5825 Remote Similarity NPD1040 Phase 2
0.5818 Remote Similarity NPD4431 Clinical (unspecified phase)
0.5795 Remote Similarity NPD9490 Approved
0.5794 Remote Similarity NPD3651 Discontinued
0.5789 Remote Similarity NPD3346 Approved
0.5789 Remote Similarity NPD3344 Approved
0.5789 Remote Similarity NPD5915 Approved
0.5789 Remote Similarity NPD4728 Approved
0.5784 Remote Similarity NPD154 Discontinued
0.5784 Remote Similarity NPD2244 Clinical (unspecified phase)
0.5773 Remote Similarity NPD243 Approved
0.5773 Remote Similarity NPD8 Approved
0.5769 Remote Similarity NPD4778 Clinical (unspecified phase)
0.5758 Remote Similarity NPD9566 Approved
0.573 Remote Similarity NPD1507 Clinical (unspecified phase)
0.5729 Remote Similarity NPD7160 Approved
0.5729 Remote Similarity NPD3000 Approved
0.5729 Remote Similarity NPD4543 Discontinued
0.5729 Remote Similarity NPD2998 Approved
0.5729 Remote Similarity NPD2997 Approved
0.5728 Remote Similarity NPD3407 Phase 3
0.5714 Remote Similarity NPD9491 Approved
0.5714 Remote Similarity NPD4094 Approved
0.5714 Remote Similarity NPD3971 Phase 1
0.5714 Remote Similarity NPD7343 Discovery
0.5714 Remote Similarity NPD7344 Phase 1
0.5714 Remote Similarity NPD1903 Approved

Structure

External Identifiers

PubChem CID   5324611
ChEMBL   CHEMBL135583
ZINC  

Physicochemical Properties

Molecular Weight:  121.05
ALogP:  -0.1505
MLogP:  2.01
XLogP:  3.323
# Rotatable Bonds:  2
Polar Surface Area:  32.59
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  9

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs