Natural Product: NPC78517

Natural Product ID:  NPC78517
Common Name:   Propyl Cinnamate
IUPAC Name:   propyl (E)-3-phenylprop-2-enoate
Synonyms:   Propyl Cinnamate
Molecular Formula:   C12H14O2
Standard InCHIKey:  OLLPXZHNCXACMM-CMDGGOBGSA-N
Standard InCHI:  InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+
Canonical SMILES:  CCCOC(=O)/C=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
NPO20060 Styrax Species Styracaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT737 Cell Line HUVEC Homo sapiens Inhibition = 70 % 21955679
NPT737 Cell Line HUVEC Homo sapiens IC50 = 100 ug/ml 21955679
NPT3934 Organism Brassica rapa subsp. chinensis Brassica rapa subsp. chinensis GI = 31 % 10.1584/jpestics.25.263
NPT3934 Organism Brassica rapa subsp. chinensis Brassica rapa subsp. chinensis GI = 7 % 10.1584/jpestics.25.263
NPT722 Organism Athelia rolfsii Athelia rolfsii GI = 40 % 10.1584/jpestics.25.263
NPT722 Organism Athelia rolfsii Athelia rolfsii GI = 86 % 10.1584/jpestics.25.263
NPT722 Organism Athelia rolfsii Athelia rolfsii GI = 18 % 10.1584/jpestics.25.263
NPT723 Organism Pythium Pythium GI = 95 % 10.1584/jpestics.25.263

  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 NPC78517 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 NPC167577
0.9863 High Similarity NPC176228
0.9733 High Similarity NPC303245
0.9733 High Similarity NPC89950
0.9726 High Similarity NPC3672
0.9726 High Similarity NPC287790
0.9589 High Similarity NPC175393
0.9231 High Similarity NPC308619
0.9231 High Similarity NPC324835
0.9231 High Similarity NPC243289
0.9231 High Similarity NPC208183
0.9231 High Similarity NPC127491
0.9103 High Similarity NPC99240
0.8974 High Similarity NPC71795
0.8795 High Similarity NPC173443
0.878 High Similarity NPC286608
0.878 High Similarity NPC169050
0.8765 High Similarity NPC53299
0.8684 High Similarity NPC206800
0.8684 High Similarity NPC32203
0.859 High Similarity NPC50192
0.8554 High Similarity NPC96625
0.8537 High Similarity NPC58616
0.8471 Intermediate Similarity NPC213156
0.8471 Intermediate Similarity NPC240108
0.8372 Intermediate Similarity NPC472319
0.8372 Intermediate Similarity NPC119631
0.8333 Intermediate Similarity NPC89377
0.8289 Intermediate Similarity NPC326200
0.8276 Intermediate Similarity NPC77273
0.8267 Intermediate Similarity NPC235059
0.8267 Intermediate Similarity NPC16190
0.8267 Intermediate Similarity NPC169222
0.8256 Intermediate Similarity NPC185501
0.825 Intermediate Similarity NPC170484
0.8235 Intermediate Similarity NPC304760
0.8182 Intermediate Similarity NPC23453
0.8148 Intermediate Similarity NPC121800
0.814 Intermediate Similarity NPC220893
0.8133 Intermediate Similarity NPC311343
0.8111 Intermediate Similarity NPC276775
0.8111 Intermediate Similarity NPC92754
0.8111 Intermediate Similarity NPC249912
0.8026 Intermediate Similarity NPC98880
0.8022 Intermediate Similarity NPC225060
0.8022 Intermediate Similarity NPC78701
0.8022 Intermediate Similarity NPC35448
0.8 Intermediate Similarity NPC30361
0.7952 Intermediate Similarity NPC103387
0.7952 Intermediate Similarity NPC323103
0.7935 Intermediate Similarity NPC146351
0.7922 Intermediate Similarity NPC95289
0.7889 Intermediate Similarity NPC130398
0.7857 Intermediate Similarity NPC270507
0.7849 Intermediate Similarity NPC70624
0.7821 Intermediate Similarity NPC155429
0.7778 Intermediate Similarity NPC329318
0.7765 Intermediate Similarity NPC44546
0.7742 Intermediate Similarity NPC98911
0.7742 Intermediate Similarity NPC118343
0.7742 Intermediate Similarity NPC472318
0.7717 Intermediate Similarity NPC270654
0.7684 Intermediate Similarity NPC474365
0.7684 Intermediate Similarity NPC234305
0.7684 Intermediate Similarity NPC301943
0.7684 Intermediate Similarity NPC304638
0.7684 Intermediate Similarity NPC179686
0.7683 Intermediate Similarity NPC76455
0.7683 Intermediate Similarity NPC137847
0.7674 Intermediate Similarity NPC475710
0.7674 Intermediate Similarity NPC294134
0.7662 Intermediate Similarity NPC82770
0.7662 Intermediate Similarity NPC239931
0.7662 Intermediate Similarity NPC78954
0.766 Intermediate Similarity NPC42211
0.7634 Intermediate Similarity NPC135951
0.7634 Intermediate Similarity NPC154517
0.7604 Intermediate Similarity NPC85977
0.7579 Intermediate Similarity NPC188895
0.7553 Intermediate Similarity NPC203925
0.7553 Intermediate Similarity NPC325497
0.7553 Intermediate Similarity NPC80115
0.7529 Intermediate Similarity NPC106313
0.7527 Intermediate Similarity NPC325499
0.7526 Intermediate Similarity NPC128730
0.75 Intermediate Similarity NPC91820
0.75 Intermediate Similarity NPC82426
0.7474 Intermediate Similarity NPC253746
0.7449 Intermediate Similarity NPC326447
0.7449 Intermediate Similarity NPC176971
0.7449 Intermediate Similarity NPC472315
0.7449 Intermediate Similarity NPC472316
0.7449 Intermediate Similarity NPC119271
0.7449 Intermediate Similarity NPC475203
0.7449 Intermediate Similarity NPC136962
0.7449 Intermediate Similarity NPC474376
0.7444 Intermediate Similarity NPC26224
0.7442 Intermediate Similarity NPC288903
0.7423 Intermediate Similarity NPC171831
0.7423 Intermediate Similarity NPC242913
0.7423 Intermediate Similarity NPC280616
0.7412 Intermediate Similarity NPC100039
0.7412 Intermediate Similarity NPC165212
0.7396 Intermediate Similarity NPC94343
0.7381 Intermediate Similarity NPC300205
0.7374 Intermediate Similarity NPC151530
0.7374 Intermediate Similarity NPC157473
0.7374 Intermediate Similarity NPC56493
0.7368 Intermediate Similarity NPC171843
0.7363 Intermediate Similarity NPC475059
0.7363 Intermediate Similarity NPC475023
0.7349 Intermediate Similarity NPC179726
0.7347 Intermediate Similarity NPC269457
0.7347 Intermediate Similarity NPC472919
0.732 Intermediate Similarity NPC89886
0.7312 Intermediate Similarity NPC5472
0.73 Intermediate Similarity NPC17417
0.73 Intermediate Similarity NPC114741
0.73 Intermediate Similarity NPC83628
0.73 Intermediate Similarity NPC182549
0.73 Intermediate Similarity NPC474364
0.73 Intermediate Similarity NPC10251
0.73 Intermediate Similarity NPC265407
0.73 Intermediate Similarity NPC469636
0.7294 Intermediate Similarity NPC164086
0.7284 Intermediate Similarity NPC271437
0.7283 Intermediate Similarity NPC475057
0.7273 Intermediate Similarity NPC51174
0.7273 Intermediate Similarity NPC37115
0.7273 Intermediate Similarity NPC477251
0.7263 Intermediate Similarity NPC179411
0.7262 Intermediate Similarity NPC36342
0.7262 Intermediate Similarity NPC285470
0.7262 Intermediate Similarity NPC2785
0.726 Intermediate Similarity NPC269586
0.7245 Intermediate Similarity NPC109637
0.7245 Intermediate Similarity NPC2518
0.7245 Intermediate Similarity NPC31786
0.7241 Intermediate Similarity NPC197581
0.7241 Intermediate Similarity NPC39600
0.7229 Intermediate Similarity NPC78500
0.7228 Intermediate Similarity NPC93084
0.7228 Intermediate Similarity NPC251854
0.7228 Intermediate Similarity NPC174099
0.7228 Intermediate Similarity NPC196246
0.7228 Intermediate Similarity NPC214067
0.7209 Intermediate Similarity NPC73978
0.72 Intermediate Similarity NPC475465
0.72 Intermediate Similarity NPC277788
0.72 Intermediate Similarity NPC472314
0.72 Intermediate Similarity NPC20485
0.72 Intermediate Similarity NPC260952
0.72 Intermediate Similarity NPC47536
0.7195 Intermediate Similarity NPC208075
0.7191 Intermediate Similarity NPC318107
0.7176 Intermediate Similarity NPC469894
0.7172 Intermediate Similarity NPC227255
0.7172 Intermediate Similarity NPC288760
0.7172 Intermediate Similarity NPC127676
0.7172 Intermediate Similarity NPC209632
0.7162 Intermediate Similarity NPC300345
0.7162 Intermediate Similarity NPC120441
0.7162 Intermediate Similarity NPC65873
0.7162 Intermediate Similarity NPC212114
0.716 Intermediate Similarity NPC74458
0.7157 Intermediate Similarity NPC323007
0.7157 Intermediate Similarity NPC1082
0.7157 Intermediate Similarity NPC210089
0.7157 Intermediate Similarity NPC474157
0.7157 Intermediate Similarity NPC260818
0.7157 Intermediate Similarity NPC305912
0.7157 Intermediate Similarity NPC476003
0.7143 Intermediate Similarity NPC60679
0.7143 Intermediate Similarity NPC298023
0.7143 Intermediate Similarity NPC245966
0.7143 Intermediate Similarity NPC9822
0.7129 Intermediate Similarity NPC40178
0.7129 Intermediate Similarity NPC206341
0.7129 Intermediate Similarity NPC184633
0.7123 Intermediate Similarity NPC277704
0.7123 Intermediate Similarity NPC149436
0.7113 Intermediate Similarity NPC13755
0.71 Intermediate Similarity NPC30594
0.71 Intermediate Similarity NPC37622
0.7093 Intermediate Similarity NPC190567
0.7093 Intermediate Similarity NPC127343
0.7087 Intermediate Similarity NPC321852
0.7087 Intermediate Similarity NPC139946
0.7087 Intermediate Similarity NPC270699
0.7087 Intermediate Similarity NPC82899
0.7087 Intermediate Similarity NPC470825
0.7083 Intermediate Similarity NPC175298
0.7079 Intermediate Similarity NPC252067
0.7073 Intermediate Similarity NPC285679
0.7071 Intermediate Similarity NPC283546
0.7071 Intermediate Similarity NPC114594
0.7067 Intermediate Similarity NPC8235
0.7041 Intermediate Similarity NPC84325
0.7041 Intermediate Similarity NPC45613
0.7027 Intermediate Similarity NPC198841

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC78517 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
0.878 High Similarity NPD1282 Approved
0.8684 High Similarity NPD9716 Approved
0.8353 Intermediate Similarity NPD689 Discontinued
0.7857 Intermediate Similarity NPD3971 Phase 1
0.7826 Intermediate Similarity NPD5926 Approved
0.7742 Intermediate Similarity NPD1238 Approved
0.7674 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD3134 Approved
0.7374 Intermediate Similarity NPD1358 Approved
0.732 Intermediate Similarity NPD6647 Phase 2
0.73 Intermediate Similarity NPD2182 Approved
0.7262 Intermediate Similarity NPD225 Approved
0.7262 Intermediate Similarity NPD227 Approved
0.7253 Intermediate Similarity NPD3672 Approved
0.7253 Intermediate Similarity NPD3673 Approved
0.7245 Intermediate Similarity NPD164 Approved
0.7191 Intermediate Similarity NPD9257 Approved
0.7191 Intermediate Similarity NPD9259 Approved
0.7157 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD5909 Discontinued
0.7059 Intermediate Similarity NPD2067 Discontinued
0.7021 Intermediate Similarity NPD1202 Approved
0.7011 Intermediate Similarity NPD226 Approved
0.6977 Remote Similarity NPD9490 Approved
0.6947 Remote Similarity NPD6049 Phase 2
0.6947 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6882 Remote Similarity NPD9256 Approved
0.6882 Remote Similarity NPD9258 Approved
0.6875 Remote Similarity NPD1989 Approved
0.6854 Remote Similarity NPD9491 Approved
0.6832 Remote Similarity NPD9697 Approved
0.6818 Remote Similarity NPD942 Approved
0.6762 Remote Similarity NPD969 Suspended
0.6744 Remote Similarity NPD9294 Approved
0.6739 Remote Similarity NPD1087 Approved
0.6739 Remote Similarity NPD650 Approved
0.6705 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1066 Discontinued
0.6667 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6636 Remote Similarity NPD9545 Approved
0.6606 Remote Similarity NPD694 Clinical (unspecified phase)
0.6598 Remote Similarity NPD9260 Approved
0.6596 Remote Similarity NPD5347 Phase 2
0.6596 Remote Similarity NPD800 Approved
0.6596 Remote Similarity NPD5346 Phase 2
0.6574 Remote Similarity NPD690 Clinical (unspecified phase)
0.6566 Remote Similarity NPD9495 Approved
0.6559 Remote Similarity NPD506 Clinical (unspecified phase)
0.6559 Remote Similarity NPD4793 Discontinued
0.6545 Remote Similarity NPD2347 Approved
0.6526 Remote Similarity NPD1086 Approved
0.6526 Remote Similarity NPD1090 Approved
0.6526 Remote Similarity NPD1089 Approved
0.6506 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6505 Remote Similarity NPD5048 Discontinued
0.65 Remote Similarity NPD675 Discontinued
0.65 Remote Similarity NPD2066 Phase 3
0.65 Remote Similarity NPD7798 Approved
0.6481 Remote Similarity NPD6010 Discontinued
0.6481 Remote Similarity NPD1241 Discontinued
0.6458 Remote Similarity NPD7609 Phase 3
0.6458 Remote Similarity NPD1007 Discontinued
0.6455 Remote Similarity NPD9493 Approved
0.6444 Remote Similarity NPD9250 Approved
0.6429 Remote Similarity NPD5691 Approved
0.642 Remote Similarity NPD173 Clinical (unspecified phase)
0.6415 Remote Similarity NPD5235 Approved
0.6415 Remote Similarity NPD5236 Approved
0.6415 Remote Similarity NPD5240 Approved
0.6415 Remote Similarity NPD5237 Approved
0.6415 Remote Similarity NPD5239 Approved
0.6392 Remote Similarity NPD1088 Approved
0.6392 Remote Similarity NPD7631 Approved
0.6364 Remote Similarity NPD4198 Discontinued
0.6355 Remote Similarity NPD2201 Approved
0.6348 Remote Similarity NPD6637 Approved
0.6327 Remote Similarity NPD1563 Approved
0.6321 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6316 Remote Similarity NPD531 Approved
0.6316 Remote Similarity NPD3496 Discontinued
0.6311 Remote Similarity NPD1929 Approved
0.6311 Remote Similarity NPD1930 Approved
0.6311 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6296 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6289 Remote Similarity NPD1239 Approved
0.6286 Remote Similarity NPD5705 Approved
0.6286 Remote Similarity NPD6685 Approved
0.6286 Remote Similarity NPD5706 Approved
0.6286 Remote Similarity NPD5704 Approved
0.6275 Remote Similarity NPD2553 Approved
0.6275 Remote Similarity NPD2558 Approved
0.6275 Remote Similarity NPD2549 Approved
0.6275 Remote Similarity NPD2555 Approved
0.6275 Remote Similarity NPD2552 Approved
0.6275 Remote Similarity NPD2550 Approved
0.6263 Remote Similarity NPD1693 Approved
0.6261 Remote Similarity NPD6287 Discontinued
0.625 Remote Similarity NPD1237 Approved
0.6239 Remote Similarity NPD2198 Approved
0.6239 Remote Similarity NPD6858 Approved
0.6239 Remote Similarity NPD2199 Approved
0.6239 Remote Similarity NPD7094 Approved
0.6239 Remote Similarity NPD5535 Approved
0.6224 Remote Similarity NPD1508 Approved
0.6214 Remote Similarity NPD4189 Approved
0.6214 Remote Similarity NPD4188 Approved
0.6214 Remote Similarity NPD1932 Approved
0.619 Remote Similarity NPD1576 Approved
0.6186 Remote Similarity NPD9567 Approved
0.6186 Remote Similarity NPD552 Approved
0.6186 Remote Similarity NPD553 Approved
0.6176 Remote Similarity NPD9712 Approved
0.6163 Remote Similarity NPD294 Approved
0.6163 Remote Similarity NPD292 Approved
0.6161 Remote Similarity NPD5291 Approved
0.6161 Remote Similarity NPD5292 Approved
0.6154 Remote Similarity NPD9261 Approved
0.614 Remote Similarity NPD5585 Approved
0.6139 Remote Similarity NPD3495 Discontinued
0.6139 Remote Similarity NPD1565 Approved
0.6139 Remote Similarity NPD1566 Phase 3
0.6139 Remote Similarity NPD1564 Approved
0.6134 Remote Similarity NPD1019 Discontinued
0.6126 Remote Similarity NPD2629 Approved
0.6121 Remote Similarity NPD518 Clinical (unspecified phase)
0.6111 Remote Similarity NPD4233 Approved
0.6111 Remote Similarity NPD4234 Approved
0.6111 Remote Similarity NPD1752 Approved
0.6111 Remote Similarity NPD1756 Approved
0.61 Remote Similarity NPD688 Clinical (unspecified phase)
0.6098 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6095 Remote Similarity NPD3047 Approved
0.6095 Remote Similarity NPD3046 Approved
0.6095 Remote Similarity NPD3048 Approved
0.6091 Remote Similarity NPD5277 Phase 2
0.6087 Remote Similarity NPD1778 Approved
0.6087 Remote Similarity NPD4626 Approved
0.6078 Remote Similarity NPD9710 Approved
0.6078 Remote Similarity NPD9711 Approved
0.6075 Remote Similarity NPD5979 Clinical (unspecified phase)
0.6075 Remote Similarity NPD290 Approved
0.6068 Remote Similarity NPD9717 Approved
0.6053 Remote Similarity NPD1894 Discontinued
0.604 Remote Similarity NPD5206 Clinical (unspecified phase)
0.604 Remote Similarity NPD1843 Approved
0.6038 Remote Similarity NPD794 Clinical (unspecified phase)
0.6033 Remote Similarity NPD6832 Phase 2
0.6023 Remote Similarity NPD9589 Approved
0.6023 Remote Similarity NPD9590 Approved
0.6023 Remote Similarity NPD9588 Approved
0.6023 Remote Similarity NPD9594 Approved
0.6023 Remote Similarity NPD80 Approved
0.6023 Remote Similarity NPD9593 Approved
0.6023 Remote Similarity NPD9591 Approved
0.6023 Remote Similarity NPD9592 Approved
0.6019 Remote Similarity NPD2684 Approved
0.6019 Remote Similarity NPD2329 Discontinued
0.6018 Remote Similarity NPD4431 Clinical (unspecified phase)
0.6 Remote Similarity NPD5765 Approved
0.6 Remote Similarity NPD1080 Approved
0.6 Remote Similarity NPD3535 Clinical (unspecified phase)
0.6 Remote Similarity NPD111 Approved
0.6 Remote Similarity NPD9508 Approved
0.5984 Remote Similarity NPD5952 Clinical (unspecified phase)
0.5983 Remote Similarity NPD422 Phase 1
0.5983 Remote Similarity NPD4480 Approved
0.5982 Remote Similarity NPD5951 Approved
0.5981 Remote Similarity NPD968 Approved
0.5981 Remote Similarity NPD2551 Approved
0.5981 Remote Similarity NPD3524 Approved
0.5981 Remote Similarity NPD2559 Approved
0.5981 Remote Similarity NPD812 Approved
0.5981 Remote Similarity NPD811 Approved
0.5981 Remote Similarity NPD810 Approved
0.5981 Remote Similarity NPD3526 Approved
0.598 Remote Similarity NPD1076 Approved
0.598 Remote Similarity NPD1100 Approved
0.598 Remote Similarity NPD9566 Approved
0.598 Remote Similarity NPD1099 Approved
0.5965 Remote Similarity NPD5536 Phase 2
0.5963 Remote Similarity NPD3646 Clinical (unspecified phase)
0.5963 Remote Similarity NPD1317 Discontinued
0.5946 Remote Similarity NPD2607 Approved
0.5932 Remote Similarity NPD1877 Discontinued
0.593 Remote Similarity NPD1673 Approved
0.5926 Remote Similarity NPD9263 Approved
0.5926 Remote Similarity NPD3420 Clinical (unspecified phase)
0.5926 Remote Similarity NPD9265 Clinical (unspecified phase)
0.5926 Remote Similarity NPD9267 Approved
0.5926 Remote Similarity NPD9264 Approved
0.5922 Remote Similarity NPD253 Approved
0.5918 Remote Similarity NPD9249 Phase 1
0.5909 Remote Similarity NPD9728 Phase 1
0.5897 Remote Similarity NPD7457 Clinical (unspecified phase)
0.5893 Remote Similarity NPD2650 Approved
0.5893 Remote Similarity NPD2652 Approved
0.5882 Remote Similarity NPD4359 Approved
0.5872 Remote Similarity NPD74 Approved
0.5872 Remote Similarity NPD9266 Approved

Structure

External Identifiers

PubChem CID   5270647
ChEMBL   CHEMBL1911048
ZINC  

Physicochemical Properties

Molecular Weight:  190.10
ALogP:  0.0449
MLogP:  2.56
XLogP:  5.006
# Rotatable Bonds:  6
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  14

Download Data

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