Natural Product: NPC473356

Natural Product ID:  NPC473356
Common Name:   Dimethyl (Z,6E)-6-[3-(Furan-3-Yl)Propylidene]-2-(4-Methylpent-3-Enyl)Hept-2-Enedioate
IUPAC Name:   dimethyl (Z,6E)-6-[3-(furan-3-yl)propylidene]-2-(4-methylpent-3-enyl)hept-2-enedioate
Synonyms:  
Molecular Formula:   C22H30O5
Standard InCHIKey:  RHYBSUZKHZEFTF-GGUPLVMRSA-N
Standard InCHI:  InChI=1S/C22H30O5/c1-17(2)8-5-10-19(21(23)25-3)12-7-13-20(22(24)26-4)11-6-9-18-14-15-27-16-18/h8,11-12,14-16H,5-7,9-10,13H2,1-4H3/b19-12-,20-11+
Canonical SMILES:  COC(=O)/C(=C/CCc1cocc1)/CC/C=C(C(=O)OC)/CCC=C(C)C
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
NPO12372 Baccharis thymifolia Species Asteraceae Eukaryota PMID[18232640]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT454 Organism Tenebrio molitor Tenebrio molitor Activity = 6 day 20017491

  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 NPC473356 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 NPC471521
0.9615 High Similarity NPC1811
0.9615 High Similarity NPC26157
0.9519 High Similarity NPC105249
0.9174 High Similarity NPC131801
0.9143 High Similarity NPC177331
0.9009 High Similarity NPC473969
0.9009 High Similarity NPC4898
0.9 High Similarity NPC144745
0.9 High Similarity NPC208906
0.8929 High Similarity NPC474817
0.8919 High Similarity NPC21831
0.8919 High Similarity NPC187547
0.885 High Similarity NPC474136
0.885 High Similarity NPC1848
0.8772 High Similarity NPC283284
0.8772 High Similarity NPC289911
0.8696 High Similarity NPC475818
0.8696 High Similarity NPC476351
0.8649 High Similarity NPC28054
0.8547 High Similarity NPC71274
0.8547 High Similarity NPC474829
0.8547 High Similarity NPC471559
0.8547 High Similarity NPC179354
0.8547 High Similarity NPC75557
0.8534 High Similarity NPC16922
0.8475 Intermediate Similarity NPC474260
0.8475 Intermediate Similarity NPC329922
0.8475 Intermediate Similarity NPC81912
0.8475 Intermediate Similarity NPC329694
0.8462 Intermediate Similarity NPC243269
0.8421 Intermediate Similarity NPC243704
0.8403 Intermediate Similarity NPC137570
0.8403 Intermediate Similarity NPC471554
0.8403 Intermediate Similarity NPC471501
0.8403 Intermediate Similarity NPC473355
0.8403 Intermediate Similarity NPC471573
0.8403 Intermediate Similarity NPC474830
0.8403 Intermediate Similarity NPC476016
0.8393 Intermediate Similarity NPC292036
0.8333 Intermediate Similarity NPC474438
0.8333 Intermediate Similarity NPC312525
0.8333 Intermediate Similarity NPC474279
0.8333 Intermediate Similarity NPC227660
0.8333 Intermediate Similarity NPC217180
0.8319 Intermediate Similarity NPC150895
0.8319 Intermediate Similarity NPC205523
0.8319 Intermediate Similarity NPC138139
0.8319 Intermediate Similarity NPC74612
0.8319 Intermediate Similarity NPC46536
0.8305 Intermediate Similarity NPC65735
0.8305 Intermediate Similarity NPC188377
0.8291 Intermediate Similarity NPC471549
0.8291 Intermediate Similarity NPC317217
0.8291 Intermediate Similarity NPC473379
0.8257 Intermediate Similarity NPC140688
0.825 Intermediate Similarity NPC83178
0.8246 Intermediate Similarity NPC45536
0.819 Intermediate Similarity NPC244862
0.819 Intermediate Similarity NPC67345
0.8182 Intermediate Similarity NPC207294
0.8182 Intermediate Similarity NPC112706
0.8151 Intermediate Similarity NPC477965
0.8151 Intermediate Similarity NPC477038
0.8136 Intermediate Similarity NPC477967
0.8136 Intermediate Similarity NPC263870
0.813 Intermediate Similarity NPC89133
0.813 Intermediate Similarity NPC17681
0.8099 Intermediate Similarity NPC95567
0.8099 Intermediate Similarity NPC319140
0.8087 Intermediate Similarity NPC476031
0.8087 Intermediate Similarity NPC476014
0.8065 Intermediate Similarity NPC97740
0.8065 Intermediate Similarity NPC471817
0.8065 Intermediate Similarity NPC45358
0.8037 Intermediate Similarity NPC156768
0.8 Intermediate Similarity NPC118853
0.8 Intermediate Similarity NPC470740
0.8 Intermediate Similarity NPC474426
0.8 Intermediate Similarity NPC474425
0.8 Intermediate Similarity NPC474407
0.7984 Intermediate Similarity NPC298190
0.7937 Intermediate Similarity NPC288209
0.7903 Intermediate Similarity NPC21460
0.7899 Intermediate Similarity NPC79557
0.7895 Intermediate Similarity NPC22678
0.7886 Intermediate Similarity NPC477039
0.7886 Intermediate Similarity NPC477040
0.7886 Intermediate Similarity NPC327527
0.7886 Intermediate Similarity NPC477966
0.7886 Intermediate Similarity NPC476917
0.7886 Intermediate Similarity NPC477123
0.7881 Intermediate Similarity NPC137710
0.7874 Intermediate Similarity NPC92941
0.7874 Intermediate Similarity NPC14650
0.7869 Intermediate Similarity NPC23086
0.784 Intermediate Similarity NPC475092
0.7838 Intermediate Similarity NPC42471
0.7833 Intermediate Similarity NPC36255
0.7833 Intermediate Similarity NPC270807
0.7833 Intermediate Similarity NPC174915
0.7812 Intermediate Similarity NPC146872
0.7797 Intermediate Similarity NPC254958
0.7797 Intermediate Similarity NPC293424
0.7797 Intermediate Similarity NPC291619
0.7787 Intermediate Similarity NPC230979
0.776 Intermediate Similarity NPC476925
0.7759 Intermediate Similarity NPC252004
0.7752 Intermediate Similarity NPC170604
0.7752 Intermediate Similarity NPC215109
0.7752 Intermediate Similarity NPC470742
0.7752 Intermediate Similarity NPC310830
0.7752 Intermediate Similarity NPC42400
0.7724 Intermediate Similarity NPC216810
0.7705 Intermediate Similarity NPC130275
0.7705 Intermediate Similarity NPC83115
0.7698 Intermediate Similarity NPC136340
0.7692 Intermediate Similarity NPC220094
0.7692 Intermediate Similarity NPC476943
0.7692 Intermediate Similarity NPC236532
0.768 Intermediate Similarity NPC208389
0.7664 Intermediate Similarity NPC146316
0.7647 Intermediate Similarity NPC206007
0.7642 Intermediate Similarity NPC471074
0.7642 Intermediate Similarity NPC473885
0.7638 Intermediate Similarity NPC471544
0.7638 Intermediate Similarity NPC471545
0.7638 Intermediate Similarity NPC473344
0.7634 Intermediate Similarity NPC90953
0.7615 Intermediate Similarity NPC307401
0.7615 Intermediate Similarity NPC186626
0.7611 Intermediate Similarity NPC157473
0.7611 Intermediate Similarity NPC151530
0.7581 Intermediate Similarity NPC52035
0.7576 Intermediate Similarity NPC56197
0.7565 Intermediate Similarity NPC229387
0.7563 Intermediate Similarity NPC212918
0.7559 Intermediate Similarity NPC61788
0.7559 Intermediate Similarity NPC282230
0.7559 Intermediate Similarity NPC183348
0.7542 Intermediate Similarity NPC11821
0.754 Intermediate Similarity NPC223063
0.754 Intermediate Similarity NPC120836
0.754 Intermediate Similarity NPC198904
0.7522 Intermediate Similarity NPC176971
0.7521 Intermediate Similarity NPC230951
0.752 Intermediate Similarity NPC141059
0.75 Intermediate Similarity NPC15083
0.75 Intermediate Similarity NPC277525
0.75 Intermediate Similarity NPC473982
0.75 Intermediate Similarity NPC202260
0.75 Intermediate Similarity NPC221798
0.75 Intermediate Similarity NPC470977
0.75 Intermediate Similarity NPC196979
0.75 Intermediate Similarity NPC54626
0.75 Intermediate Similarity NPC57879
0.75 Intermediate Similarity NPC470976
0.75 Intermediate Similarity NPC87466
0.748 Intermediate Similarity NPC66246
0.748 Intermediate Similarity NPC170546
0.7479 Intermediate Similarity NPC470860
0.7479 Intermediate Similarity NPC474987
0.7479 Intermediate Similarity NPC316062
0.7479 Intermediate Similarity NPC76844
0.7477 Intermediate Similarity NPC233791
0.7463 Intermediate Similarity NPC121158
0.7462 Intermediate Similarity NPC159786
0.7459 Intermediate Similarity NPC115859
0.7459 Intermediate Similarity NPC97566
0.7456 Intermediate Similarity NPC219969
0.7442 Intermediate Similarity NPC293253
0.7442 Intermediate Similarity NPC471006
0.7442 Intermediate Similarity NPC218838
0.744 Intermediate Similarity NPC83301
0.7434 Intermediate Similarity NPC128730
0.7417 Intermediate Similarity NPC217423
0.7417 Intermediate Similarity NPC45104
0.7407 Intermediate Similarity NPC223415
0.7407 Intermediate Similarity NPC470741
0.7407 Intermediate Similarity NPC80635
0.7407 Intermediate Similarity NPC267632
0.7405 Intermediate Similarity NPC303217
0.7402 Intermediate Similarity NPC59502
0.7388 Intermediate Similarity NPC20500
0.7385 Intermediate Similarity NPC106247
0.7373 Intermediate Similarity NPC53953
0.7368 Intermediate Similarity NPC326447
0.7353 Intermediate Similarity NPC261733
0.7353 Intermediate Similarity NPC307346
0.7353 Intermediate Similarity NPC142113
0.7353 Intermediate Similarity NPC251865
0.7353 Intermediate Similarity NPC199044
0.7353 Intermediate Similarity NPC267004
0.7353 Intermediate Similarity NPC218712
0.7353 Intermediate Similarity NPC238843
0.7353 Intermediate Similarity NPC476944
0.7348 Intermediate Similarity NPC473268
0.7344 Intermediate Similarity NPC238309
0.7339 Intermediate Similarity NPC291189
0.7339 Intermediate Similarity NPC272899

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473356 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
0.7402 Intermediate Similarity NPD6832 Phase 2
0.7368 Intermediate Similarity NPD3134 Approved
0.7304 Intermediate Similarity NPD1358 Approved
0.7244 Intermediate Similarity NPD1019 Discontinued
0.7239 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD1241 Discontinued
0.72 Intermediate Similarity NPD9717 Approved
0.7165 Intermediate Similarity NPD1049 Clinical (unspecified phase)
0.6992 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6975 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6949 Remote Similarity NPD2182 Approved
0.6899 Remote Similarity NPD1203 Approved
0.688 Remote Similarity NPD5585 Approved
0.6866 Remote Similarity NPD1933 Approved
0.6855 Remote Similarity NPD9092 Discovery
0.685 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1238 Approved
0.6838 Remote Similarity NPD9697 Approved
0.68 Remote Similarity NPD9545 Approved
0.6791 Remote Similarity NPD4307 Phase 2
0.6788 Remote Similarity NPD1551 Phase 2
0.6783 Remote Similarity NPD920 Approved
0.6772 Remote Similarity NPD3496 Discontinued
0.6763 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6738 Remote Similarity NPD643 Clinical (unspecified phase)
0.6721 Remote Similarity NPD5535 Approved
0.6715 Remote Similarity NPD2799 Discontinued
0.6714 Remote Similarity NPD4628 Phase 3
0.6693 Remote Similarity NPD1778 Approved
0.6667 Remote Similarity NPD3140 Approved
0.6667 Remote Similarity NPD3142 Approved
0.6667 Remote Similarity NPD3972 Approved
0.6667 Remote Similarity NPD1894 Discontinued
0.6667 Remote Similarity NPD3887 Approved
0.6643 Remote Similarity NPD642 Clinical (unspecified phase)
0.6642 Remote Similarity NPD411 Approved
0.6642 Remote Similarity NPD2313 Discontinued
0.6641 Remote Similarity NPD2797 Approved
0.6641 Remote Similarity NPD3266 Approved
0.6641 Remote Similarity NPD3267 Approved
0.664 Remote Similarity NPD9493 Approved
0.6618 Remote Similarity NPD447 Suspended
0.6615 Remote Similarity NPD4359 Approved
0.661 Remote Similarity NPD164 Approved
0.6594 Remote Similarity NPD4308 Phase 3
0.6591 Remote Similarity NPD5647 Approved
0.6573 Remote Similarity NPD6799 Approved
0.6565 Remote Similarity NPD1876 Approved
0.6562 Remote Similarity NPD17 Approved
0.6541 Remote Similarity NPD9494 Approved
0.6525 Remote Similarity NPD1243 Approved
0.6519 Remote Similarity NPD3268 Approved
0.6519 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6519 Remote Similarity NPD6798 Discontinued
0.6515 Remote Similarity NPD6362 Approved
0.651 Remote Similarity NPD5761 Phase 2
0.651 Remote Similarity NPD5760 Phase 2
0.6503 Remote Similarity NPD7440 Discontinued
0.65 Remote Similarity NPD2355 Clinical (unspecified phase)
0.65 Remote Similarity NPD2353 Approved
0.65 Remote Similarity NPD2344 Approved
0.65 Remote Similarity NPD1471 Phase 3
0.6496 Remote Similarity NPD6355 Discontinued
0.6484 Remote Similarity NPD5691 Approved
0.6483 Remote Similarity NPD6273 Approved
0.6483 Remote Similarity NPD2186 Approved
0.6475 Remote Similarity NPD3748 Approved
0.6471 Remote Similarity NPD4062 Phase 3
0.6471 Remote Similarity NPD6233 Phase 2
0.6466 Remote Similarity NPD2798 Approved
0.6457 Remote Similarity NPD5536 Phase 2
0.6447 Remote Similarity NPD919 Approved
0.6439 Remote Similarity NPD3225 Approved
0.6429 Remote Similarity NPD2796 Approved
0.6429 Remote Similarity NPD2935 Discontinued
0.6412 Remote Similarity NPD1481 Phase 2
0.6412 Remote Similarity NPD1608 Approved
0.6393 Remote Similarity NPD2684 Approved
0.6385 Remote Similarity NPD3847 Discontinued
0.6383 Remote Similarity NPD2346 Discontinued
0.6377 Remote Similarity NPD4618 Approved
0.6377 Remote Similarity NPD4622 Approved
0.6358 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6357 Remote Similarity NPD7033 Discontinued
0.6341 Remote Similarity NPD2067 Discontinued
0.6336 Remote Similarity NPD1535 Discovery
0.6331 Remote Similarity NPD6653 Approved
0.6327 Remote Similarity NPD5403 Approved
0.6327 Remote Similarity NPD3873 Phase 3
0.6327 Remote Similarity NPD3869 Phase 3
0.6323 Remote Similarity NPD6808 Phase 2
0.632 Remote Similarity NPD7843 Approved
0.6319 Remote Similarity NPD2309 Approved
0.6319 Remote Similarity NPD2354 Approved
0.6309 Remote Similarity NPD6599 Discontinued
0.6304 Remote Similarity NPD2979 Phase 3
0.6301 Remote Similarity NPD5401 Approved
0.6296 Remote Similarity NPD454 Approved
0.6286 Remote Similarity NPD5688 Approved
0.6286 Remote Similarity NPD5689 Approved
0.6277 Remote Similarity NPD3764 Approved
0.6268 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6268 Remote Similarity NPD6005 Phase 3
0.6268 Remote Similarity NPD6004 Phase 3
0.6268 Remote Similarity NPD6002 Phase 3
0.6268 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6267 Remote Similarity NPD7411 Suspended
0.6261 Remote Similarity NPD1202 Approved
0.625 Remote Similarity NPD2614 Approved
0.625 Remote Similarity NPD9261 Approved
0.625 Remote Similarity NPD1878 Clinical (unspecified phase)
0.625 Remote Similarity NPD3750 Approved
0.6242 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6232 Remote Similarity NPD4870 Approved
0.6232 Remote Similarity NPD8032 Phase 2
0.6225 Remote Similarity NPD6280 Approved
0.6225 Remote Similarity NPD6279 Approved
0.622 Remote Similarity NPD690 Clinical (unspecified phase)
0.6216 Remote Similarity NPD9257 Approved
0.6216 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6216 Remote Similarity NPD9259 Approved
0.6212 Remote Similarity NPD1281 Approved
0.6204 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6197 Remote Similarity NPD2240 Approved
0.6197 Remote Similarity NPD4477 Approved
0.6197 Remote Similarity NPD4476 Approved
0.6197 Remote Similarity NPD2239 Approved
0.6184 Remote Similarity NPD7819 Suspended
0.6184 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6184 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6183 Remote Similarity NPD4626 Approved
0.6179 Remote Similarity NPD290 Approved
0.6174 Remote Similarity NPD957 Approved
0.6172 Remote Similarity NPD7157 Approved
0.6164 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6159 Remote Similarity NPD5890 Approved
0.6159 Remote Similarity NPD1296 Phase 2
0.6159 Remote Similarity NPD5889 Approved
0.6154 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6149 Remote Similarity NPD5049 Phase 3
0.6138 Remote Similarity NPD7003 Approved
0.6138 Remote Similarity NPD4110 Phase 3
0.6138 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6122 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6119 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6118 Remote Similarity NPD6801 Discontinued
0.6111 Remote Similarity NPD6765 Approved
0.6111 Remote Similarity NPD2897 Discontinued
0.6111 Remote Similarity NPD6764 Approved
0.6111 Remote Similarity NPD6559 Discontinued
0.6111 Remote Similarity NPD1549 Phase 2
0.6107 Remote Similarity NPD1670 Discontinued
0.6104 Remote Similarity NPD7768 Phase 2
0.6098 Remote Similarity NPD968 Approved
0.609 Remote Similarity NPD6287 Discontinued
0.609 Remote Similarity NPD422 Phase 1
0.6087 Remote Similarity NPD7095 Approved
0.6087 Remote Similarity NPD5163 Phase 2
0.6087 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5746 Approved
0.6084 Remote Similarity NPD2438 Suspended
0.6084 Remote Similarity NPD2531 Phase 2
0.6081 Remote Similarity NPD4661 Approved
0.6081 Remote Similarity NPD4662 Approved
0.6074 Remote Similarity NPD1283 Approved
0.6069 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6065 Remote Similarity NPD7075 Discontinued
0.6065 Remote Similarity NPD3749 Approved
0.6063 Remote Similarity NPD769 Approved
0.6063 Remote Similarity NPD821 Approved
0.6056 Remote Similarity NPD743 Approved
0.6056 Remote Similarity NPD7097 Phase 1
0.6053 Remote Similarity NPD6385 Approved
0.6053 Remote Similarity NPD958 Approved
0.6053 Remote Similarity NPD6386 Approved
0.6051 Remote Similarity NPD1247 Approved
0.6051 Remote Similarity NPD5262 Discontinued
0.6048 Remote Similarity NPD9264 Approved
0.6048 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6048 Remote Similarity NPD9267 Approved
0.6048 Remote Similarity NPD9263 Approved
0.6042 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6042 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6039 Remote Similarity NPD3817 Phase 2
0.6039 Remote Similarity NPD5402 Approved
0.6028 Remote Similarity NPD230 Phase 1
0.6028 Remote Similarity NPD4340 Discontinued
0.6027 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6026 Remote Similarity NPD3226 Approved
0.6026 Remote Similarity NPD7458 Discontinued
0.6024 Remote Similarity NPD8434 Phase 2
0.6016 Remote Similarity NPD9069 Phase 1
0.6014 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6013 Remote Similarity NPD7317 Phase 3
0.6 Remote Similarity NPD970 Clinical (unspecified phase)
0.6 Remote Similarity NPD74 Approved
0.6 Remote Similarity NPD5958 Discontinued
0.6 Remote Similarity NPD9258 Approved
0.6 Remote Similarity NPD4534 Discontinued

Structure

External Identifiers

PubChem CID   24799149
ChEMBL   CHEMBL402583
ZINC  

Physicochemical Properties

Molecular Weight:  374.21
ALogP:  2.9229
MLogP:  3.33
XLogP:  4.433
# Rotatable Bonds:  17
Polar Surface Area:  65.74
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  27

Download Data

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