Natural Product: NPC212743

Natural Product ID:  NPC212743
Common Name:   Cassiferaldehyde
IUPAC Name:   (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enal
Synonyms:   Cassiferaldehyde
Molecular Formula:   C10H10O3
Standard InCHIKey:  LNYOLAZJJYTRSO-HWKANZROSA-N
Standard InCHI:  InChI=1S/C10H10O3/c1-13-10-8(5-3-7-11)4-2-6-9(10)12/h2-7,12H,1H3/b5-3+
Canonical SMILES:  COc1c(/C=C/C=O)cccc1O
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
NPO31458 Cinnamomum cassia Species Lauraceae Eukaryota Twigs PMID[19555125]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 260000 nM 7714539

  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 NPC212743 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
0.9554 High Similarity NPC39793
0.9189 High Similarity NPC195873
0.9016 High Similarity NPC261759
0.8974 High Similarity NPC202474
0.8966 High Similarity NPC137537
0.8966 High Similarity NPC70744
0.8966 High Similarity NPC107588
0.8966 High Similarity NPC272471
0.8966 High Similarity NPC164706
0.8929 High Similarity NPC179309
0.8898 High Similarity NPC204466
0.885 High Similarity NPC156840
0.885 High Similarity NPC8547
0.885 High Similarity NPC257124
0.885 High Similarity NPC78918
0.885 High Similarity NPC173746
0.885 High Similarity NPC139617
0.8843 High Similarity NPC271985
0.8843 High Similarity NPC87113
0.8839 High Similarity NPC233731
0.8839 High Similarity NPC36108
0.8839 High Similarity NPC7097
0.8839 High Similarity NPC246358
0.8824 High Similarity NPC70752
0.876 High Similarity NPC60517
0.876 High Similarity NPC146886
0.876 High Similarity NPC20443
0.875 High Similarity NPC114298
0.8739 High Similarity NPC224814
0.8739 High Similarity NPC189844
0.8739 High Similarity NPC269843
0.8739 High Similarity NPC60962
0.8739 High Similarity NPC14007
0.8739 High Similarity NPC307253
0.8739 High Similarity NPC109083
0.8699 High Similarity NPC203719
0.8699 High Similarity NPC117237
0.8689 High Similarity NPC289459
0.8678 High Similarity NPC4181
0.8678 High Similarity NPC164778
0.8678 High Similarity NPC257976
0.8678 High Similarity NPC242372
0.8655 High Similarity NPC2058
0.8632 High Similarity NPC221049
0.8629 High Similarity NPC478215
0.8621 High Similarity NPC294941
0.8618 High Similarity NPC213552
0.8618 High Similarity NPC120225
0.8607 High Similarity NPC312404
0.8607 High Similarity NPC273686
0.8607 High Similarity NPC246704
0.8595 High Similarity NPC286573
0.8583 High Similarity NPC158949
0.8571 High Similarity NPC19149
0.8571 High Similarity NPC299406
0.8559 High Similarity NPC164386
0.8545 High Similarity NPC84325
0.8525 High Similarity NPC160900
0.8525 High Similarity NPC106659
0.8525 High Similarity NPC238810
0.8525 High Similarity NPC18984
0.8525 High Similarity NPC229084
0.8496 Intermediate Similarity NPC227894
0.8492 Intermediate Similarity NPC298268
0.8487 Intermediate Similarity NPC255675
0.8468 Intermediate Similarity NPC179777
0.8435 Intermediate Similarity NPC137685
0.8417 Intermediate Similarity NPC24474
0.8417 Intermediate Similarity NPC311595
0.8417 Intermediate Similarity NPC37858
0.8417 Intermediate Similarity NPC320987
0.8417 Intermediate Similarity NPC181969
0.8413 Intermediate Similarity NPC83062
0.8403 Intermediate Similarity NPC293619
0.8403 Intermediate Similarity NPC280001
0.84 Intermediate Similarity NPC276466
0.84 Intermediate Similarity NPC32163
0.84 Intermediate Similarity NPC16651
0.84 Intermediate Similarity NPC151167
0.84 Intermediate Similarity NPC5018
0.84 Intermediate Similarity NPC123722
0.84 Intermediate Similarity NPC123228
0.8387 Intermediate Similarity NPC300326
0.8387 Intermediate Similarity NPC58279
0.8376 Intermediate Similarity NPC95381
0.8372 Intermediate Similarity NPC249791
0.8372 Intermediate Similarity NPC119060
0.8372 Intermediate Similarity NPC237594
0.8372 Intermediate Similarity NPC476387
0.8362 Intermediate Similarity NPC226250
0.8361 Intermediate Similarity NPC177291
0.8361 Intermediate Similarity NPC476165
0.8361 Intermediate Similarity NPC194416
0.8361 Intermediate Similarity NPC201777
0.8359 Intermediate Similarity NPC2190
0.8347 Intermediate Similarity NPC177475
0.8347 Intermediate Similarity NPC148615
0.8347 Intermediate Similarity NPC35071
0.8333 Intermediate Similarity NPC124916
0.8333 Intermediate Similarity NPC109275
0.8333 Intermediate Similarity NPC470626
0.8333 Intermediate Similarity NPC110313
0.832 Intermediate Similarity NPC276014
0.832 Intermediate Similarity NPC84076
0.832 Intermediate Similarity NPC303680
0.832 Intermediate Similarity NPC90128
0.8319 Intermediate Similarity NPC227255
0.8319 Intermediate Similarity NPC111225
0.8319 Intermediate Similarity NPC288760
0.8305 Intermediate Similarity NPC261453
0.8305 Intermediate Similarity NPC217472
0.8305 Intermediate Similarity NPC33749
0.8305 Intermediate Similarity NPC328593
0.8279 Intermediate Similarity NPC207613
0.8268 Intermediate Similarity NPC304622
0.8268 Intermediate Similarity NPC48315
0.8264 Intermediate Similarity NPC310338
0.8264 Intermediate Similarity NPC281298
0.8264 Intermediate Similarity NPC20674
0.825 Intermediate Similarity NPC259638
0.825 Intermediate Similarity NPC65791
0.824 Intermediate Similarity NPC280767
0.8235 Intermediate Similarity NPC233669
0.8235 Intermediate Similarity NPC474967
0.8231 Intermediate Similarity NPC92830
0.823 Intermediate Similarity NPC79672
0.823 Intermediate Similarity NPC292792
0.8226 Intermediate Similarity NPC121115
0.8226 Intermediate Similarity NPC95168
0.8226 Intermediate Similarity NPC163083
0.8217 Intermediate Similarity NPC50763
0.8214 Intermediate Similarity NPC12714
0.8214 Intermediate Similarity NPC310905
0.8211 Intermediate Similarity NPC470212
0.8211 Intermediate Similarity NPC470804
0.8211 Intermediate Similarity NPC343720
0.8211 Intermediate Similarity NPC312675
0.8211 Intermediate Similarity NPC324571
0.8211 Intermediate Similarity NPC476343
0.8211 Intermediate Similarity NPC54872
0.8211 Intermediate Similarity NPC113865
0.8211 Intermediate Similarity NPC184651
0.8211 Intermediate Similarity NPC262156
0.8211 Intermediate Similarity NPC473853
0.8205 Intermediate Similarity NPC55300
0.8203 Intermediate Similarity NPC172673
0.8197 Intermediate Similarity NPC232316
0.8197 Intermediate Similarity NPC227217
0.8197 Intermediate Similarity NPC56214
0.8197 Intermediate Similarity NPC242885
0.8197 Intermediate Similarity NPC229401
0.8197 Intermediate Similarity NPC117780
0.8197 Intermediate Similarity NPC95614
0.8197 Intermediate Similarity NPC165133
0.8182 Intermediate Similarity NPC283711
0.8182 Intermediate Similarity NPC203124
0.8182 Intermediate Similarity NPC275519
0.8182 Intermediate Similarity NPC309434
0.8174 Intermediate Similarity NPC233320
0.8168 Intermediate Similarity NPC214729
0.8167 Intermediate Similarity NPC154256
0.8167 Intermediate Similarity NPC281277
0.8167 Intermediate Similarity NPC290470
0.8167 Intermediate Similarity NPC193067
0.816 Intermediate Similarity NPC183446
0.816 Intermediate Similarity NPC4012
0.8154 Intermediate Similarity NPC36490
0.8154 Intermediate Similarity NPC475468
0.8148 Intermediate Similarity NPC299154
0.8145 Intermediate Similarity NPC209567
0.8145 Intermediate Similarity NPC246967
0.8145 Intermediate Similarity NPC135414
0.8145 Intermediate Similarity NPC85488
0.8136 Intermediate Similarity NPC165646
0.813 Intermediate Similarity NPC295317
0.813 Intermediate Similarity NPC131868
0.8125 Intermediate Similarity NPC13755
0.812 Intermediate Similarity NPC13067
0.8115 Intermediate Similarity NPC135961
0.8115 Intermediate Similarity NPC57501
0.811 Intermediate Similarity NPC293641
0.811 Intermediate Similarity NPC20404
0.811 Intermediate Similarity NPC12022
0.811 Intermediate Similarity NPC20287
0.8103 Intermediate Similarity NPC241549
0.8099 Intermediate Similarity NPC86947
0.8095 Intermediate Similarity NPC60885
0.8095 Intermediate Similarity NPC299584
0.8095 Intermediate Similarity NPC53305
0.8095 Intermediate Similarity NPC234400
0.8095 Intermediate Similarity NPC82483
0.8095 Intermediate Similarity NPC257589
0.8095 Intermediate Similarity NPC265483
0.8092 Intermediate Similarity NPC237330
0.8092 Intermediate Similarity NPC135127
0.8092 Intermediate Similarity NPC144662
0.8092 Intermediate Similarity NPC471110
0.8088 Intermediate Similarity NPC264706
0.8088 Intermediate Similarity NPC474444
0.8088 Intermediate Similarity NPC284881

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC212743 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
0.885 High Similarity NPD228 Approved
0.8699 High Similarity NPD9494 Approved
0.8525 High Similarity NPD4379 Clinical (unspecified phase)
0.8017 Intermediate Similarity NPD290 Approved
0.8 Intermediate Similarity NPD9296 Approved
0.7951 Intermediate Similarity NPD5536 Phase 2
0.7823 Intermediate Similarity NPD1357 Approved
0.7744 Intermediate Similarity NPD447 Suspended
0.7712 Intermediate Similarity NPD1358 Approved
0.771 Intermediate Similarity NPD3027 Phase 3
0.7698 Intermediate Similarity NPD3496 Discontinued
0.7623 Intermediate Similarity NPD5283 Phase 1
0.7619 Intermediate Similarity NPD4626 Approved
0.7537 Intermediate Similarity NPD1613 Approved
0.7537 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2684 Approved
0.75 Intermediate Similarity NPD6671 Approved
0.748 Intermediate Similarity NPD1778 Approved
0.7479 Intermediate Similarity NPD3134 Approved
0.7479 Intermediate Similarity NPD968 Approved
0.7463 Intermediate Similarity NPD2674 Phase 3
0.7436 Intermediate Similarity NPD291 Approved
0.7431 Intermediate Similarity NPD1653 Approved
0.7424 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3620 Phase 2
0.7407 Intermediate Similarity NPD4060 Phase 1
0.7402 Intermediate Similarity NPD5691 Approved
0.7395 Intermediate Similarity NPD9697 Approved
0.7388 Intermediate Similarity NPD3145 Approved
0.7388 Intermediate Similarity NPD3144 Approved
0.7304 Intermediate Similarity NPD844 Approved
0.7302 Intermediate Similarity NPD9493 Approved
0.7295 Intermediate Similarity NPD3021 Approved
0.7295 Intermediate Similarity NPD3022 Approved
0.7279 Intermediate Similarity NPD1558 Phase 1
0.7258 Intermediate Similarity NPD7843 Approved
0.7241 Intermediate Similarity NPD288 Approved
0.7231 Intermediate Similarity NPD422 Phase 1
0.723 Intermediate Similarity NPD1934 Approved
0.7226 Intermediate Similarity NPD230 Phase 1
0.7222 Intermediate Similarity NPD7157 Approved
0.7203 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3882 Suspended
0.72 Intermediate Similarity NPD1241 Discontinued
0.7197 Intermediate Similarity NPD2922 Phase 1
0.7176 Intermediate Similarity NPD9717 Approved
0.7164 Intermediate Similarity NPD3018 Phase 2
0.7143 Intermediate Similarity NPD3111 Phase 1
0.7121 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD9365 Approved
0.7103 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD1091 Approved
0.7099 Intermediate Similarity NPD3705 Approved
0.7092 Intermediate Similarity NPD7266 Discontinued
0.7087 Intermediate Similarity NPD709 Approved
0.708 Intermediate Similarity NPD9295 Approved
0.7067 Intermediate Similarity NPD2801 Approved
0.7054 Intermediate Similarity NPD1548 Phase 1
0.7054 Intermediate Similarity NPD9545 Approved
0.7034 Intermediate Similarity NPD1511 Approved
0.7027 Intermediate Similarity NPD824 Approved
0.7021 Intermediate Similarity NPD2935 Discontinued
0.7021 Intermediate Similarity NPD1551 Phase 2
0.7015 Intermediate Similarity NPD1203 Approved
0.7007 Intermediate Similarity NPD411 Approved
0.6993 Remote Similarity NPD5177 Phase 3
0.6992 Remote Similarity NPD2983 Phase 2
0.6992 Remote Similarity NPD2982 Phase 2
0.6984 Remote Similarity NPD821 Approved
0.6984 Remote Similarity NPD9377 Approved
0.6984 Remote Similarity NPD9379 Approved
0.6978 Remote Similarity NPD1933 Approved
0.697 Remote Similarity NPD1610 Phase 2
0.6957 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6939 Remote Similarity NPD1512 Approved
0.6929 Remote Similarity NPD6653 Approved
0.6918 Remote Similarity NPD4357 Discontinued
0.6918 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6917 Remote Similarity NPD2230 Approved
0.6917 Remote Similarity NPD2233 Approved
0.6917 Remote Similarity NPD2981 Phase 2
0.6917 Remote Similarity NPD2232 Approved
0.6912 Remote Similarity NPD2861 Phase 2
0.6906 Remote Similarity NPD1240 Approved
0.6889 Remote Similarity NPD2797 Approved
0.6884 Remote Similarity NPD1048 Approved
0.6884 Remote Similarity NPD6798 Discontinued
0.688 Remote Similarity NPD556 Approved
0.6875 Remote Similarity NPD111 Approved
0.6875 Remote Similarity NPD3060 Approved
0.6875 Remote Similarity NPD9299 Approved
0.687 Remote Similarity NPD5585 Approved
0.6866 Remote Similarity NPD4749 Approved
0.6863 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6861 Remote Similarity NPD600 Approved
0.6861 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6861 Remote Similarity NPD596 Approved
0.6857 Remote Similarity NPD6355 Discontinued
0.6853 Remote Similarity NPD5762 Approved
0.6853 Remote Similarity NPD5763 Approved
0.6842 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6838 Remote Similarity NPD2798 Approved
0.6838 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6838 Remote Similarity NPD845 Approved
0.6838 Remote Similarity NPD6584 Phase 3
0.6831 Remote Similarity NPD1510 Phase 2
0.6828 Remote Similarity NPD8166 Discontinued
0.6828 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6828 Remote Similarity NPD4110 Phase 3
0.6825 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6818 Remote Similarity NPD9384 Approved
0.6818 Remote Similarity NPD9381 Approved
0.6815 Remote Similarity NPD3225 Approved
0.6815 Remote Similarity NPD1283 Approved
0.6812 Remote Similarity NPD7095 Approved
0.6809 Remote Similarity NPD1607 Approved
0.6809 Remote Similarity NPD2492 Phase 1
0.6806 Remote Similarity NPD2424 Discontinued
0.68 Remote Similarity NPD3866 Clinical (unspecified phase)
0.6791 Remote Similarity NPD2235 Phase 2
0.6791 Remote Similarity NPD2231 Phase 2
0.6791 Remote Similarity NPD1608 Approved
0.6788 Remote Similarity NPD1712 Approved
0.6786 Remote Similarity NPD943 Approved
0.6783 Remote Similarity NPD2161 Phase 2
0.6783 Remote Similarity NPD6032 Approved
0.6781 Remote Similarity NPD6190 Approved
0.678 Remote Similarity NPD2933 Approved
0.678 Remote Similarity NPD1432 Clinical (unspecified phase)
0.678 Remote Similarity NPD2934 Approved
0.6772 Remote Similarity NPD2898 Approved
0.6772 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6166 Phase 2
0.6769 Remote Similarity NPD405 Clinical (unspecified phase)
0.6765 Remote Similarity NPD987 Approved
0.6765 Remote Similarity NPD1794 Approved
0.6763 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6742 Remote Similarity NPD1651 Approved
0.6741 Remote Similarity NPD9622 Approved
0.6739 Remote Similarity NPD4908 Phase 1
0.6738 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6736 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6723 Remote Similarity NPD2860 Approved
0.6723 Remote Similarity NPD2859 Approved
0.6721 Remote Similarity NPD846 Approved
0.6721 Remote Similarity NPD940 Approved
0.6719 Remote Similarity NPD1138 Approved
0.6716 Remote Similarity NPD1611 Approved
0.6716 Remote Similarity NPD776 Approved
0.6715 Remote Similarity NPD1019 Discontinued
0.6714 Remote Similarity NPD839 Approved
0.6714 Remote Similarity NPD840 Approved
0.6713 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6713 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6712 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6712 Remote Similarity NPD4628 Phase 3
0.6694 Remote Similarity NPD3020 Approved
0.6692 Remote Similarity NPD6516 Phase 2
0.6692 Remote Similarity NPD5846 Approved
0.6691 Remote Similarity NPD6696 Suspended
0.6691 Remote Similarity NPD8651 Approved
0.6691 Remote Similarity NPD4625 Phase 3
0.669 Remote Similarity NPD970 Clinical (unspecified phase)
0.669 Remote Similarity NPD7153 Discontinued
0.6689 Remote Similarity NPD3455 Phase 2
0.6689 Remote Similarity NPD1774 Approved
0.6688 Remote Similarity NPD3817 Phase 2
0.6687 Remote Similarity NPD3818 Discontinued
0.6667 Remote Similarity NPD5241 Discontinued
0.6667 Remote Similarity NPD826 Approved
0.6667 Remote Similarity NPD1894 Discontinued
0.6667 Remote Similarity NPD2219 Phase 1
0.6667 Remote Similarity NPD74 Approved
0.6667 Remote Similarity NPD825 Approved
0.6667 Remote Similarity NPD1182 Approved
0.6667 Remote Similarity NPD1398 Phase 1
0.6667 Remote Similarity NPD9266 Approved
0.6667 Remote Similarity NPD9269 Phase 2
0.6646 Remote Similarity NPD7054 Approved
0.6644 Remote Similarity NPD4237 Approved
0.6644 Remote Similarity NPD1652 Phase 2
0.6644 Remote Similarity NPD4162 Approved
0.6644 Remote Similarity NPD4236 Phase 3
0.6643 Remote Similarity NPD3268 Approved
0.6643 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6643 Remote Similarity NPD5111 Phase 2
0.6643 Remote Similarity NPD5718 Phase 2
0.6643 Remote Similarity NPD5109 Approved
0.6643 Remote Similarity NPD5110 Phase 2
0.6642 Remote Similarity NPD3847 Discontinued
0.6641 Remote Similarity NPD1137 Approved
0.6641 Remote Similarity NPD1139 Approved
0.6639 Remote Similarity NPD1242 Phase 1
0.6623 Remote Similarity NPD1465 Phase 2
0.6623 Remote Similarity NPD3687 Approved
0.6623 Remote Similarity NPD3686 Approved

Structure

External Identifiers

PubChem CID   44178761
ChEMBL   CHEMBL1077145
ZINC  

Physicochemical Properties

Molecular Weight:  178.06
ALogP:  -0.3434
MLogP:  2.23
XLogP:  1.312
# Rotatable Bonds:  5
Polar Surface Area:  46.53
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  13

Download Data

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Structure MOL file  
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Biological Activities  
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