Natural Product: NPC309982

Natural Product ID:  NPC309982
Common Name:   4-Methoxybenzaldehyde Oxime
IUPAC Name:   (NE)-N-[(4-methoxyphenyl)methylidene]hydroxylamine
Synonyms:   4-Methoxy-Benzaldehyde Oxime
Molecular Formula:   C8H9NO2
Standard InCHIKey:  FXOSHPAYNZBSFO-RMKNXTFCSA-N
Standard InCHI:  InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3/b9-6+
Canonical SMILES:  COc1ccc(cc1)/C=N/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
NPO13989 Uncaria macrophylla Species Rubiaceae Eukaryota TM-MC*
NPO14112 Uncaria rhynchophylla Species Rubiaceae Eukaryota TM-MC*
NPO29352 Uncaria sinensis Species Rubiaceae Eukaryota TM-MC*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Activity = 7.6 % 23916150
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 4 % 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 NPC309982 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
0.8692 High Similarity NPC146530
0.8624 High Similarity NPC166837
0.84 Intermediate Similarity NPC177844
0.84 Intermediate Similarity NPC259134
0.84 Intermediate Similarity NPC99886
0.84 Intermediate Similarity NPC8002
0.8348 Intermediate Similarity NPC43275
0.8319 Intermediate Similarity NPC303370
0.8317 Intermediate Similarity NPC71853
0.8241 Intermediate Similarity NPC42383
0.8235 Intermediate Similarity NPC321956
0.8113 Intermediate Similarity NPC100870
0.8077 Intermediate Similarity NPC471581
0.8034 Intermediate Similarity NPC256369
0.8019 Intermediate Similarity NPC175298
0.8018 Intermediate Similarity NPC97811
0.7966 Intermediate Similarity NPC263835
0.7963 Intermediate Similarity NPC51633
0.7931 Intermediate Similarity NPC258992
0.7899 Intermediate Similarity NPC183262
0.7899 Intermediate Similarity NPC83279
0.789 Intermediate Similarity NPC192596
0.789 Intermediate Similarity NPC305205
0.787 Intermediate Similarity NPC13755
0.7869 Intermediate Similarity NPC29477
0.7863 Intermediate Similarity NPC323948
0.7818 Intermediate Similarity NPC474603
0.7818 Intermediate Similarity NPC12987
0.7818 Intermediate Similarity NPC38079
0.7818 Intermediate Similarity NPC2518
0.7818 Intermediate Similarity NPC108875
0.7798 Intermediate Similarity NPC12714
0.7798 Intermediate Similarity NPC310905
0.7798 Intermediate Similarity NPC300166
0.7778 Intermediate Similarity NPC471576
0.7768 Intermediate Similarity NPC186469
0.7748 Intermediate Similarity NPC470393
0.7727 Intermediate Similarity NPC179686
0.7727 Intermediate Similarity NPC298224
0.7706 Intermediate Similarity NPC107101
0.7705 Intermediate Similarity NPC211218
0.7679 Intermediate Similarity NPC113457
0.7672 Intermediate Similarity NPC26524
0.7667 Intermediate Similarity NPC160120
0.7667 Intermediate Similarity NPC53596
0.7667 Intermediate Similarity NPC289330
0.7667 Intermediate Similarity NPC41801
0.7667 Intermediate Similarity NPC471308
0.7667 Intermediate Similarity NPC17388
0.7658 Intermediate Similarity NPC38209
0.7658 Intermediate Similarity NPC109637
0.7658 Intermediate Similarity NPC292792
0.7658 Intermediate Similarity NPC283546
0.7642 Intermediate Similarity NPC62101
0.7642 Intermediate Similarity NPC300955
0.7642 Intermediate Similarity NPC95733
0.7636 Intermediate Similarity NPC307425
0.7611 Intermediate Similarity NPC251306
0.7611 Intermediate Similarity NPC227894
0.7589 Intermediate Similarity NPC473855
0.7589 Intermediate Similarity NPC128730
0.7589 Intermediate Similarity NPC8302
0.7589 Intermediate Similarity NPC238115
0.7581 Intermediate Similarity NPC246133
0.7581 Intermediate Similarity NPC182147
0.7581 Intermediate Similarity NPC71105
0.7581 Intermediate Similarity NPC170583
0.7581 Intermediate Similarity NPC207541
0.7581 Intermediate Similarity NPC152186
0.7568 Intermediate Similarity NPC178902
0.7563 Intermediate Similarity NPC120075
0.7559 Intermediate Similarity NPC476570
0.7544 Intermediate Similarity NPC75440
0.7544 Intermediate Similarity NPC153690
0.7544 Intermediate Similarity NPC201959
0.7538 Intermediate Similarity NPC174754
0.7523 Intermediate Similarity NPC470161
0.7523 Intermediate Similarity NPC107619
0.7522 Intermediate Similarity NPC1065
0.7522 Intermediate Similarity NPC326447
0.7522 Intermediate Similarity NPC231705
0.7522 Intermediate Similarity NPC176971
0.7521 Intermediate Similarity NPC321133
0.752 Intermediate Similarity NPC156944
0.752 Intermediate Similarity NPC301713
0.752 Intermediate Similarity NPC251466
0.75 Intermediate Similarity NPC241224
0.75 Intermediate Similarity NPC21890
0.748 Intermediate Similarity NPC471314
0.748 Intermediate Similarity NPC471315
0.7478 Intermediate Similarity NPC246358
0.7478 Intermediate Similarity NPC36108
0.7478 Intermediate Similarity NPC7097
0.7478 Intermediate Similarity NPC234639
0.7478 Intermediate Similarity NPC233731
0.7478 Intermediate Similarity NPC474272
0.7477 Intermediate Similarity NPC84325
0.746 Intermediate Similarity NPC186898
0.746 Intermediate Similarity NPC291449
0.746 Intermediate Similarity NPC41331
0.746 Intermediate Similarity NPC251571
0.746 Intermediate Similarity NPC157740
0.746 Intermediate Similarity NPC191302
0.746 Intermediate Similarity NPC153990
0.746 Intermediate Similarity NPC99798
0.7456 Intermediate Similarity NPC151530
0.7456 Intermediate Similarity NPC142297
0.7456 Intermediate Similarity NPC258171
0.7456 Intermediate Similarity NPC157473
0.7434 Intermediate Similarity NPC227255
0.7434 Intermediate Similarity NPC288760
0.7434 Intermediate Similarity NPC473393
0.7414 Intermediate Similarity NPC46844
0.7414 Intermediate Similarity NPC137685
0.7402 Intermediate Similarity NPC147247
0.7402 Intermediate Similarity NPC155838
0.7402 Intermediate Similarity NPC246974
0.74 Intermediate Similarity NPC124576
0.7395 Intermediate Similarity NPC37302
0.7391 Intermediate Similarity NPC291837
0.7379 Intermediate Similarity NPC23837
0.7364 Intermediate Similarity NPC471953
0.7364 Intermediate Similarity NPC95755
0.7355 Intermediate Similarity NPC5932
0.735 Intermediate Similarity NPC78918
0.735 Intermediate Similarity NPC173746
0.735 Intermediate Similarity NPC257124
0.735 Intermediate Similarity NPC139617
0.735 Intermediate Similarity NPC296920
0.735 Intermediate Similarity NPC156840
0.735 Intermediate Similarity NPC90520
0.735 Intermediate Similarity NPC55300
0.735 Intermediate Similarity NPC8547
0.7344 Intermediate Similarity NPC52029
0.7344 Intermediate Similarity NPC35961
0.7344 Intermediate Similarity NPC195749
0.7328 Intermediate Similarity NPC127326
0.7328 Intermediate Similarity NPC258056
0.7328 Intermediate Similarity NPC82016
0.7308 Intermediate Similarity NPC248817
0.7304 Intermediate Similarity NPC233320
0.7304 Intermediate Similarity NPC194034
0.7297 Intermediate Similarity NPC171843
0.7288 Intermediate Similarity NPC199462
0.7288 Intermediate Similarity NPC115379
0.7288 Intermediate Similarity NPC280606
0.7288 Intermediate Similarity NPC165646
0.7287 Intermediate Similarity NPC308885
0.7287 Intermediate Similarity NPC255550
0.7287 Intermediate Similarity NPC114102
0.728 Intermediate Similarity NPC140359
0.728 Intermediate Similarity NPC13020
0.7266 Intermediate Similarity NPC469977
0.7265 Intermediate Similarity NPC231251
0.7265 Intermediate Similarity NPC179309
0.7265 Intermediate Similarity NPC88868
0.7265 Intermediate Similarity NPC474149
0.7265 Intermediate Similarity NPC25067
0.7265 Intermediate Similarity NPC183648
0.7265 Intermediate Similarity NPC106141
0.7265 Intermediate Similarity NPC475852
0.7265 Intermediate Similarity NPC473809
0.7264 Intermediate Similarity NPC104216
0.7257 Intermediate Similarity NPC24327
0.7257 Intermediate Similarity NPC12870
0.7241 Intermediate Similarity NPC24101
0.7241 Intermediate Similarity NPC96224
0.7241 Intermediate Similarity NPC241549
0.7238 Intermediate Similarity NPC197783
0.7232 Intermediate Similarity NPC289381
0.7232 Intermediate Similarity NPC253746
0.7232 Intermediate Similarity NPC155847
0.7231 Intermediate Similarity NPC214869
0.7231 Intermediate Similarity NPC130595
0.7231 Intermediate Similarity NPC307123
0.7231 Intermediate Similarity NPC97870
0.7231 Intermediate Similarity NPC93882
0.7231 Intermediate Similarity NPC274732
0.7231 Intermediate Similarity NPC247018
0.7227 Intermediate Similarity NPC141003
0.7227 Intermediate Similarity NPC35344
0.7227 Intermediate Similarity NPC109241
0.7217 Intermediate Similarity NPC164576
0.7212 Intermediate Similarity NPC265146
0.7212 Intermediate Similarity NPC124436
0.7209 Intermediate Similarity NPC470706
0.7207 Intermediate Similarity NPC313918
0.7207 Intermediate Similarity NPC315921
0.7203 Intermediate Similarity NPC266932
0.7203 Intermediate Similarity NPC245552
0.7203 Intermediate Similarity NPC203924
0.7203 Intermediate Similarity NPC57879
0.7203 Intermediate Similarity NPC23332
0.72 Intermediate Similarity NPC298486
0.7179 Intermediate Similarity NPC165386
0.7179 Intermediate Similarity NPC259554
0.7177 Intermediate Similarity NPC318357
0.7176 Intermediate Similarity NPC6854
0.7176 Intermediate Similarity NPC313737
0.7176 Intermediate Similarity NPC285078

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC309982 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
0.8545 High Similarity NPD821 Approved
0.8 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD1232 Clinical (unspecified phase)
0.7787 Intermediate Similarity NPD2922 Phase 1
0.7597 Intermediate Similarity NPD1772 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD1669 Approved
0.7544 Intermediate Similarity NPD2684 Approved
0.7522 Intermediate Similarity NPD3134 Approved
0.7521 Intermediate Similarity NPD2667 Approved
0.7521 Intermediate Similarity NPD2668 Approved
0.75 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7479 Intermediate Similarity NPD3596 Phase 2
0.746 Intermediate Similarity NPD4993 Discontinued
0.7456 Intermediate Similarity NPD1358 Approved
0.744 Intermediate Similarity NPD1770 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD1725 Approved
0.7419 Intermediate Similarity NPD4129 Approved
0.7419 Intermediate Similarity NPD3685 Discontinued
0.7377 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD6580 Approved
0.7355 Intermediate Similarity NPD6581 Approved
0.735 Intermediate Similarity NPD228 Approved
0.7328 Intermediate Similarity NPD5451 Approved
0.7323 Intermediate Similarity NPD2040 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD3421 Phase 3
0.7311 Intermediate Similarity NPD593 Approved
0.7311 Intermediate Similarity NPD595 Approved
0.7304 Intermediate Similarity NPD290 Approved
0.7302 Intermediate Similarity NPD3568 Approved
0.7302 Intermediate Similarity NPD3567 Approved
0.7295 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD7843 Approved
0.7287 Intermediate Similarity NPD3144 Approved
0.7287 Intermediate Similarity NPD3145 Approved
0.7287 Intermediate Similarity NPD1048 Approved
0.7287 Intermediate Similarity NPD1039 Discontinued
0.728 Intermediate Similarity NPD6582 Phase 2
0.728 Intermediate Similarity NPD6583 Phase 3
0.725 Intermediate Similarity NPD709 Approved
0.725 Intermediate Similarity NPD2557 Approved
0.7231 Intermediate Similarity NPD2674 Phase 3
0.7231 Intermediate Similarity NPD1423 Approved
0.7227 Intermediate Similarity NPD594 Approved
0.7227 Intermediate Similarity NPD592 Approved
0.7217 Intermediate Similarity NPD968 Approved
0.7213 Intermediate Similarity NPD1182 Approved
0.7212 Intermediate Similarity NPD111 Approved
0.7207 Intermediate Similarity NPD9273 Approved
0.7188 Intermediate Similarity NPD1712 Approved
0.7177 Intermediate Similarity NPD3847 Discontinued
0.7165 Intermediate Similarity NPD1818 Approved
0.7165 Intermediate Similarity NPD1819 Approved
0.7165 Intermediate Similarity NPD1820 Approved
0.7165 Intermediate Similarity NPD1817 Approved
0.7154 Intermediate Similarity NPD5110 Phase 2
0.7154 Intermediate Similarity NPD5109 Approved
0.7154 Intermediate Similarity NPD5111 Phase 2
0.712 Intermediate Similarity NPD776 Approved
0.7119 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD6584 Phase 3
0.7107 Intermediate Similarity NPD7157 Approved
0.7103 Intermediate Similarity NPD9295 Approved
0.7087 Intermediate Similarity NPD196 Phase 1
0.7087 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1241 Discontinued
0.7083 Intermediate Similarity NPD5283 Phase 1
0.7068 Intermediate Similarity NPD2157 Approved
0.7068 Intermediate Similarity NPD4097 Suspended
0.7063 Intermediate Similarity NPD2233 Approved
0.7063 Intermediate Similarity NPD2232 Approved
0.7063 Intermediate Similarity NPD2230 Approved
0.7054 Intermediate Similarity NPD2407 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD1285 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD1558 Phase 1
0.7043 Intermediate Similarity NPD9608 Approved
0.7043 Intermediate Similarity NPD9610 Approved
0.7016 Intermediate Similarity NPD3445 Approved
0.7016 Intermediate Similarity NPD2595 Approved
0.7016 Intermediate Similarity NPD3444 Approved
0.7016 Intermediate Similarity NPD6382 Discontinued
0.7016 Intermediate Similarity NPD2594 Approved
0.7016 Intermediate Similarity NPD3049 Approved
0.7016 Intermediate Similarity NPD3443 Approved
0.7008 Intermediate Similarity NPD2428 Approved
0.7008 Intermediate Similarity NPD6543 Approved
0.7008 Intermediate Similarity NPD6542 Approved
0.7008 Intermediate Similarity NPD6539 Approved
0.7008 Intermediate Similarity NPD2429 Approved
0.7008 Intermediate Similarity NPD6540 Phase 3
0.7 Intermediate Similarity NPD5535 Approved
0.7 Intermediate Similarity NPD682 Discontinued
0.6972 Remote Similarity NPD9365 Approved
0.697 Remote Similarity NPD3058 Clinical (unspecified phase)
0.697 Remote Similarity NPD7477 Discontinued
0.6963 Remote Similarity NPD6380 Phase 1
0.696 Remote Similarity NPD2554 Approved
0.696 Remote Similarity NPD2556 Approved
0.6957 Remote Similarity NPD1662 Clinical (unspecified phase)
0.6953 Remote Similarity NPD6541 Approved
0.6953 Remote Similarity NPD6538 Approved
0.6947 Remote Similarity NPD3166 Approved
0.6947 Remote Similarity NPD3164 Approved
0.6947 Remote Similarity NPD1024 Discontinued
0.6947 Remote Similarity NPD3180 Approved
0.6947 Remote Similarity NPD3165 Approved
0.6947 Remote Similarity NPD5163 Phase 2
0.6947 Remote Similarity NPD3179 Approved
0.6947 Remote Similarity NPD3167 Approved
0.6937 Remote Similarity NPD2933 Approved
0.6937 Remote Similarity NPD2934 Approved
0.6935 Remote Similarity NPD2486 Discontinued
0.6929 Remote Similarity NPD2231 Phase 2
0.6929 Remote Similarity NPD2235 Phase 2
0.6929 Remote Similarity NPD1840 Phase 2
0.6912 Remote Similarity NPD2161 Phase 2
0.6909 Remote Similarity NPD159 Clinical (unspecified phase)
0.6899 Remote Similarity NPD1794 Approved
0.6891 Remote Similarity NPD9380 Clinical (unspecified phase)
0.688 Remote Similarity NPD1357 Approved
0.6875 Remote Similarity NPD2859 Approved
0.6875 Remote Similarity NPD2860 Approved
0.687 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6864 Remote Similarity NPD5373 Approved
0.6864 Remote Similarity NPD5374 Approved
0.6861 Remote Similarity NPD1803 Phase 3
0.686 Remote Similarity NPD1138 Approved
0.6855 Remote Similarity NPD5536 Phase 2
0.6846 Remote Similarity NPD3691 Phase 2
0.6846 Remote Similarity NPD7018 Phase 2
0.6846 Remote Similarity NPD3690 Phase 2
0.6842 Remote Similarity NPD839 Approved
0.6842 Remote Similarity NPD7265 Discontinued
0.6842 Remote Similarity NPD840 Approved
0.6842 Remote Similarity NPD5745 Approved
0.6838 Remote Similarity NPD9697 Approved
0.6838 Remote Similarity NPD4108 Discontinued
0.6835 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6387 Discontinued
0.6825 Remote Similarity NPD4626 Approved
0.6818 Remote Similarity NPD6179 Discontinued
0.6818 Remote Similarity NPD5746 Approved
0.6812 Remote Similarity NPD4149 Clinical (unspecified phase)
0.6812 Remote Similarity NPD7153 Discontinued
0.6812 Remote Similarity NPD1044 Clinical (unspecified phase)
0.68 Remote Similarity NPD1548 Phase 1
0.6794 Remote Similarity NPD455 Discontinued
0.6786 Remote Similarity NPD2219 Phase 1
0.6786 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6786 Remote Similarity NPD9296 Approved
0.6777 Remote Similarity NPD1137 Approved
0.6777 Remote Similarity NPD1139 Approved
0.6772 Remote Similarity NPD3294 Phase 2
0.6769 Remote Similarity NPD4098 Discontinued
0.6767 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6767 Remote Similarity NPD7294 Phase 1
0.6767 Remote Similarity NPD5718 Phase 2
0.6763 Remote Similarity NPD2458 Approved
0.6763 Remote Similarity NPD2459 Approved
0.6763 Remote Similarity NPD2460 Phase 3
0.6761 Remote Similarity NPD4123 Phase 3
0.6748 Remote Similarity NPD475 Phase 2
0.6746 Remote Similarity NPD5691 Approved
0.6746 Remote Similarity NPD1651 Approved
0.6744 Remote Similarity NPD1421 Approved
0.6744 Remote Similarity NPD1420 Approved
0.6742 Remote Similarity NPD596 Approved
0.6742 Remote Similarity NPD600 Approved
0.6742 Remote Similarity NPD2614 Approved
0.6723 Remote Similarity NPD9624 Approved
0.672 Remote Similarity NPD1758 Phase 1
0.6718 Remote Similarity NPD7905 Discontinued
0.6718 Remote Similarity NPD558 Phase 2
0.6716 Remote Similarity NPD554 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1718 Discontinued
0.6714 Remote Similarity NPD6331 Phase 2
0.6714 Remote Similarity NPD5481 Discontinued
0.6713 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6696 Remote Similarity NPD3020 Approved
0.6694 Remote Similarity NPD2671 Approved
0.6694 Remote Similarity NPD6671 Approved
0.6694 Remote Similarity NPD2673 Approved
0.6693 Remote Similarity NPD5846 Approved
0.6693 Remote Similarity NPD6516 Phase 2
0.6692 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6691 Remote Similarity NPD3054 Approved
0.6691 Remote Similarity NPD2808 Discontinued
0.6691 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6691 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6691 Remote Similarity NPD3052 Approved
0.6667 Remote Similarity NPD1759 Phase 1
0.6667 Remote Similarity NPD3140 Approved
0.6667 Remote Similarity NPD3142 Approved
0.6667 Remote Similarity NPD2238 Phase 2
0.6667 Remote Similarity NPD2228 Approved
0.6667 Remote Similarity NPD1894 Discontinued
0.6667 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7131 Phase 3
0.6667 Remote Similarity NPD3692 Discontinued
0.6667 Remote Similarity NPD2234 Approved

Structure

External Identifiers

PubChem CID   5371961
ChEMBL   CHEMBL172979
ZINC  

Physicochemical Properties

Molecular Weight:  151.06
ALogP:  -0.2023
MLogP:  2.01
XLogP:  2.246
# Rotatable Bonds:  4
Polar Surface Area:  41.82
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  11

Download Data

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Biological Activities  
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