Natural Product: NPC474830

Natural Product ID:  NPC474830
Common Name:   Sarcotin J
IUPAC Name:   methyl (4Z,8S,9E,11E)-15-(furan-3-yl)-2-hydroxy-4,8,12-trimethylpentadeca-4,9,11-trienoate
Synonyms:   Sarcotin J
Molecular Formula:   C23H34O4
Standard InCHIKey:  JHGCSAXOTKATLR-SNZVDEBFSA-N
Standard InCHI:  InChI=1S/C23H34O4/c1-18(10-6-12-20(3)16-22(24)23(25)26-4)8-5-9-19(2)11-7-13-21-14-15-27-17-21/h5,8-9,12,14-15,17-18,22,24H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12-/t18-,22?/m1/s1
Canonical SMILES:  COC(=O)C(C/C(=CCC[C@@H](/C=C/C=C(/CCCc1cocc1)C)C)/C)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
NPO33064 sarcotragus sp. Species Irciniidae Eukaryota PMID[12350153]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT146 Cell Line SK-OV-3 Homo sapiens ED50 = 10 ug/ml 22506638
NPT81 Cell Line A549 Homo sapiens ED50 = 18.1 ug/ml 20457818
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 7.8 ug/ml 20457818
NPT148 Cell Line HCT-15 Homo sapiens ED50 = 8.7 ug/ml 21111625
NPT574 Cell Line XF498 Homo sapiens ED50 = 24.3 ug/ml DrugMatrix in vitro pharmacology data

  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 NPC474830 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
0.9832 High Similarity NPC474829
0.9587 High Similarity NPC474260
0.9587 High Similarity NPC329922
0.9587 High Similarity NPC81912
0.9587 High Similarity NPC329694
0.935 High Similarity NPC476016
0.9344 High Similarity NPC75557
0.9344 High Similarity NPC71274
0.9339 High Similarity NPC475818
0.9274 High Similarity NPC474279
0.9274 High Similarity NPC474438
0.918 High Similarity NPC476351
0.916 High Similarity NPC144745
0.916 High Similarity NPC208906
0.9098 High Similarity NPC283284
0.9098 High Similarity NPC289911
0.9091 High Similarity NPC474817
0.9062 High Similarity NPC474426
0.9062 High Similarity NPC474407
0.9062 High Similarity NPC474425
0.9055 High Similarity NPC17681
0.904 High Similarity NPC471554
0.904 High Similarity NPC471501
0.904 High Similarity NPC473355
0.904 High Similarity NPC471573
0.9032 High Similarity NPC471559
0.9016 High Similarity NPC474136
0.8984 High Similarity NPC97740
0.8943 High Similarity NPC471549
0.8943 High Similarity NPC473379
0.8852 High Similarity NPC473969
0.8837 High Similarity NPC45358
0.8712 High Similarity NPC303217
0.8689 High Similarity NPC131801
0.8651 High Similarity NPC243269
0.8594 High Similarity NPC137570
0.8583 High Similarity NPC1811
0.8583 High Similarity NPC26157
0.855 High Similarity NPC473982
0.8519 High Similarity NPC107571
0.8507 High Similarity NPC170604
0.8507 High Similarity NPC215109
0.8492 Intermediate Similarity NPC477967
0.8473 Intermediate Similarity NPC89133
0.8413 Intermediate Similarity NPC1848
0.8409 Intermediate Similarity NPC471545
0.8409 Intermediate Similarity NPC473344
0.8409 Intermediate Similarity NPC471817
0.8409 Intermediate Similarity NPC471544
0.8403 Intermediate Similarity NPC471521
0.8403 Intermediate Similarity NPC473356
0.8372 Intermediate Similarity NPC138139
0.8372 Intermediate Similarity NPC46536
0.837 Intermediate Similarity NPC473268
0.8359 Intermediate Similarity NPC118853
0.8358 Intermediate Similarity NPC14650
0.8347 Intermediate Similarity NPC105249
0.8346 Intermediate Similarity NPC263870
0.8333 Intermediate Similarity NPC177331
0.832 Intermediate Similarity NPC21831
0.832 Intermediate Similarity NPC187547
0.8308 Intermediate Similarity NPC83178
0.8284 Intermediate Similarity NPC288209
0.8268 Intermediate Similarity NPC79557
0.8244 Intermediate Similarity NPC207294
0.8244 Intermediate Similarity NPC112706
0.8226 Intermediate Similarity NPC28054
0.8222 Intermediate Similarity NPC476947
0.8217 Intermediate Similarity NPC188377
0.8217 Intermediate Similarity NPC65735
0.8214 Intermediate Similarity NPC137295
0.8209 Intermediate Similarity NPC218838
0.8154 Intermediate Similarity NPC179354
0.814 Intermediate Similarity NPC16922
0.8116 Intermediate Similarity NPC90953
0.811 Intermediate Similarity NPC4898
0.8095 Intermediate Similarity NPC312525
0.8095 Intermediate Similarity NPC217180
0.8092 Intermediate Similarity NPC23086
0.8077 Intermediate Similarity NPC477965
0.8077 Intermediate Similarity NPC477038
0.8062 Intermediate Similarity NPC317217
0.806 Intermediate Similarity NPC61788
0.8058 Intermediate Similarity NPC201370
0.8058 Intermediate Similarity NPC473983
0.8056 Intermediate Similarity NPC234494
0.8056 Intermediate Similarity NPC69647
0.8056 Intermediate Similarity NPC125182
0.8031 Intermediate Similarity NPC291619
0.8031 Intermediate Similarity NPC254958
0.8031 Intermediate Similarity NPC243704
0.8027 Intermediate Similarity NPC281258
0.8016 Intermediate Similarity NPC45536
0.8014 Intermediate Similarity NPC474378
0.8014 Intermediate Similarity NPC294511
0.8014 Intermediate Similarity NPC474219
0.8014 Intermediate Similarity NPC147168
0.8014 Intermediate Similarity NPC121615
0.7972 Intermediate Similarity NPC104924
0.7971 Intermediate Similarity NPC186626
0.797 Intermediate Similarity NPC26532
0.7958 Intermediate Similarity NPC261733
0.7958 Intermediate Similarity NPC218712
0.7958 Intermediate Similarity NPC307346
0.7958 Intermediate Similarity NPC267004
0.7956 Intermediate Similarity NPC159786
0.7955 Intermediate Similarity NPC74612
0.7953 Intermediate Similarity NPC227660
0.7943 Intermediate Similarity NPC121158
0.7941 Intermediate Similarity NPC470740
0.7937 Intermediate Similarity NPC205523
0.7937 Intermediate Similarity NPC150895
0.7929 Intermediate Similarity NPC282973
0.7926 Intermediate Similarity NPC298190
0.7919 Intermediate Similarity NPC45101
0.7917 Intermediate Similarity NPC255414
0.791 Intermediate Similarity NPC208389
0.791 Intermediate Similarity NPC223063
0.791 Intermediate Similarity NPC120836
0.7895 Intermediate Similarity NPC319140
0.7895 Intermediate Similarity NPC246392
0.7895 Intermediate Similarity NPC95567
0.7891 Intermediate Similarity NPC33938
0.7891 Intermediate Similarity NPC44577
0.7887 Intermediate Similarity NPC80635
0.7887 Intermediate Similarity NPC476946
0.7887 Intermediate Similarity NPC254198
0.7883 Intermediate Similarity NPC106247
0.7877 Intermediate Similarity NPC470997
0.7874 Intermediate Similarity NPC474987
0.7874 Intermediate Similarity NPC476014
0.7874 Intermediate Similarity NPC476031
0.7867 Intermediate Similarity NPC472779
0.7862 Intermediate Similarity NPC7388
0.7857 Intermediate Similarity NPC202260
0.7852 Intermediate Similarity NPC469485
0.7838 Intermediate Similarity NPC253201
0.7838 Intermediate Similarity NPC34421
0.7838 Intermediate Similarity NPC237259
0.7838 Intermediate Similarity NPC302054
0.7838 Intermediate Similarity NPC98206
0.7836 Intermediate Similarity NPC477966
0.7836 Intermediate Similarity NPC477123
0.7836 Intermediate Similarity NPC477039
0.7836 Intermediate Similarity NPC329707
0.7836 Intermediate Similarity NPC477040
0.7832 Intermediate Similarity NPC476944
0.7826 Intermediate Similarity NPC92941
0.7817 Intermediate Similarity NPC52412
0.7815 Intermediate Similarity NPC470789
0.7815 Intermediate Similarity NPC477402
0.7803 Intermediate Similarity NPC130275
0.7801 Intermediate Similarity NPC90296
0.7801 Intermediate Similarity NPC67003
0.78 Intermediate Similarity NPC472778
0.78 Intermediate Similarity NPC472776
0.78 Intermediate Similarity NPC173544
0.78 Intermediate Similarity NPC472777
0.78 Intermediate Similarity NPC194499
0.7794 Intermediate Similarity NPC136340
0.7793 Intermediate Similarity NPC216755
0.7793 Intermediate Similarity NPC471174
0.7785 Intermediate Similarity NPC214541
0.7785 Intermediate Similarity NPC44675
0.7785 Intermediate Similarity NPC155939
0.7785 Intermediate Similarity NPC296807
0.7785 Intermediate Similarity NPC141538
0.7778 Intermediate Similarity NPC195920
0.7778 Intermediate Similarity NPC5676
0.7778 Intermediate Similarity NPC34056
0.777 Intermediate Similarity NPC472672
0.777 Intermediate Similarity NPC246164
0.777 Intermediate Similarity NPC146872
0.7763 Intermediate Similarity NPC263432
0.7763 Intermediate Similarity NPC69028
0.7762 Intermediate Similarity NPC267632
0.7762 Intermediate Similarity NPC243577
0.7762 Intermediate Similarity NPC22248
0.7761 Intermediate Similarity NPC290955
0.7755 Intermediate Similarity NPC228842
0.7748 Intermediate Similarity NPC475967
0.774 Intermediate Similarity NPC471007
0.7734 Intermediate Similarity NPC76844
0.7724 Intermediate Similarity NPC475864
0.7721 Intermediate Similarity NPC476925
0.7721 Intermediate Similarity NPC21460
0.7714 Intermediate Similarity NPC470742
0.7714 Intermediate Similarity NPC310830
0.7712 Intermediate Similarity NPC477405
0.7708 Intermediate Similarity NPC251865
0.7704 Intermediate Similarity NPC476917
0.7704 Intermediate Similarity NPC327527
0.7703 Intermediate Similarity NPC272590
0.7697 Intermediate Similarity NPC335761
0.7687 Intermediate Similarity NPC472654
0.7682 Intermediate Similarity NPC197137
0.7682 Intermediate Similarity NPC261597
0.7682 Intermediate Similarity NPC7059
0.7682 Intermediate Similarity NPC88007
0.7676 Intermediate Similarity NPC148374

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474830 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
0.7754 Intermediate Similarity NPD6355 Discontinued
0.7606 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD4628 Phase 3
0.7536 Intermediate Similarity NPD6798 Discontinued
0.7372 Intermediate Similarity NPD5647 Approved
0.7357 Intermediate Similarity NPD6233 Phase 2
0.7357 Intermediate Similarity NPD4062 Phase 3
0.7273 Intermediate Similarity NPD9092 Discovery
0.7266 Intermediate Similarity NPD6832 Phase 2
0.7208 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD9717 Approved
0.7203 Intermediate Similarity NPD6653 Approved
0.7181 Intermediate Similarity NPD6799 Approved
0.7169 Intermediate Similarity NPD8434 Phase 2
0.7162 Intermediate Similarity NPD2354 Approved
0.7162 Intermediate Similarity NPD3887 Approved
0.7152 Intermediate Similarity NPD5403 Approved
0.7133 Intermediate Similarity NPD5401 Approved
0.7103 Intermediate Similarity NPD2799 Discontinued
0.7097 Intermediate Similarity NPD5760 Phase 2
0.7097 Intermediate Similarity NPD5761 Phase 2
0.7086 Intermediate Similarity NPD6273 Approved
0.7075 Intermediate Similarity NPD5958 Discontinued
0.7073 Intermediate Similarity NPD6765 Approved
0.7073 Intermediate Similarity NPD6764 Approved
0.707 Intermediate Similarity NPD7075 Discontinued
0.705 Intermediate Similarity NPD2797 Approved
0.705 Intermediate Similarity NPD6362 Approved
0.7045 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD6801 Discontinued
0.7027 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD7843 Approved
0.7013 Intermediate Similarity NPD6599 Discontinued
0.7007 Intermediate Similarity NPD5763 Approved
0.7007 Intermediate Similarity NPD5762 Approved
0.7 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.6977 Remote Similarity NPD2684 Approved
0.6974 Remote Similarity NPD5049 Phase 3
0.6972 Remote Similarity NPD7095 Approved
0.697 Remote Similarity NPD1241 Discontinued
0.6959 Remote Similarity NPD4534 Discontinued
0.6929 Remote Similarity NPD1203 Approved
0.6929 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6923 Remote Similarity NPD3268 Approved
0.6923 Remote Similarity NPD2313 Discontinued
0.6923 Remote Similarity NPD2067 Discontinued
0.6905 Remote Similarity NPD6784 Approved
0.6905 Remote Similarity NPD6785 Approved
0.6899 Remote Similarity NPD1358 Approved
0.6897 Remote Similarity NPD447 Suspended
0.6892 Remote Similarity NPD6004 Phase 3
0.6892 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6892 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6892 Remote Similarity NPD6005 Phase 3
0.6892 Remote Similarity NPD2353 Approved
0.6892 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6892 Remote Similarity NPD6002 Phase 3
0.6884 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1019 Discontinued
0.6871 Remote Similarity NPD4308 Phase 3
0.6867 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4110 Phase 3
0.6867 Remote Similarity NPD6559 Discontinued
0.6866 Remote Similarity NPD7157 Approved
0.6839 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6838 Remote Similarity NPD1894 Discontinued
0.6838 Remote Similarity NPD9545 Approved
0.6835 Remote Similarity NPD5402 Approved
0.6835 Remote Similarity NPD1608 Approved
0.6831 Remote Similarity NPD9494 Approved
0.6828 Remote Similarity NPD4060 Phase 1
0.6824 Remote Similarity NPD1551 Phase 2
0.6824 Remote Similarity NPD2239 Approved
0.6824 Remote Similarity NPD2240 Approved
0.6822 Remote Similarity NPD3134 Approved
0.6813 Remote Similarity NPD919 Approved
0.681 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6806 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6803 Remote Similarity NPD7097 Phase 1
0.6797 Remote Similarity NPD4662 Approved
0.6797 Remote Similarity NPD4661 Approved
0.6791 Remote Similarity NPD2629 Approved
0.6781 Remote Similarity NPD1933 Approved
0.6779 Remote Similarity NPD2344 Approved
0.6776 Remote Similarity NPD7440 Discontinued
0.6769 Remote Similarity NPD290 Approved
0.6761 Remote Similarity NPD2798 Approved
0.6757 Remote Similarity NPD7033 Discontinued
0.6731 Remote Similarity NPD7458 Discontinued
0.6712 Remote Similarity NPD4307 Phase 2
0.6711 Remote Similarity NPD2935 Discontinued
0.6711 Remote Similarity NPD1501 Clinical (unspecified phase)
0.671 Remote Similarity NPD920 Approved
0.6708 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6691 Remote Similarity NPD9493 Approved
0.6691 Remote Similarity NPD3496 Discontinued
0.669 Remote Similarity NPD411 Approved
0.669 Remote Similarity NPD987 Approved
0.669 Remote Similarity NPD3267 Approved
0.669 Remote Similarity NPD3266 Approved
0.6687 Remote Similarity NPD3882 Suspended
0.6667 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2346 Discontinued
0.6667 Remote Similarity NPD1471 Phase 3
0.6667 Remote Similarity NPD643 Clinical (unspecified phase)
0.6646 Remote Similarity NPD958 Approved
0.6646 Remote Similarity NPD6677 Suspended
0.6643 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6627 Remote Similarity NPD2163 Approved
0.6626 Remote Similarity NPD8127 Discontinued
0.6625 Remote Similarity NPD3817 Phase 2
0.6623 Remote Similarity NPD2424 Discontinued
0.6623 Remote Similarity NPD2897 Discontinued
0.6623 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6621 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6621 Remote Similarity NPD2598 Clinical (unspecified phase)
0.662 Remote Similarity NPD1876 Approved
0.6619 Remote Similarity NPD17 Approved
0.6619 Remote Similarity NPD1778 Approved
0.6601 Remote Similarity NPD2309 Approved
0.6596 Remote Similarity NPD3972 Approved
0.6596 Remote Similarity NPD1481 Phase 2
0.6591 Remote Similarity NPD2182 Approved
0.6584 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6581 Remote Similarity NPD642 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6575 Remote Similarity NPD3764 Approved
0.6571 Remote Similarity NPD3847 Discontinued
0.6562 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7819 Suspended
0.6554 Remote Similarity NPD4340 Discontinued
0.6552 Remote Similarity NPD2614 Approved
0.6547 Remote Similarity NPD5585 Approved
0.6543 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6541 Remote Similarity NPD7411 Suspended
0.6536 Remote Similarity NPD7003 Approved
0.6536 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6536 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6536 Remote Similarity NPD3750 Approved
0.6535 Remote Similarity NPD9495 Approved
0.6525 Remote Similarity NPD1535 Discovery
0.6519 Remote Similarity NPD2649 Approved
0.6519 Remote Similarity NPD2651 Approved
0.6519 Remote Similarity NPD5535 Approved
0.6513 Remote Similarity NPD1549 Phase 2
0.6503 Remote Similarity NPD1283 Approved
0.649 Remote Similarity NPD5712 Approved
0.649 Remote Similarity NPD6032 Approved
0.649 Remote Similarity NPD4477 Approved
0.649 Remote Similarity NPD4476 Approved
0.649 Remote Similarity NPD2796 Approved
0.649 Remote Similarity NPD2438 Suspended
0.6488 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6486 Remote Similarity NPD4140 Approved
0.6486 Remote Similarity NPD3142 Approved
0.6486 Remote Similarity NPD3140 Approved
0.6483 Remote Similarity NPD454 Approved
0.6481 Remote Similarity NPD7768 Phase 2
0.6478 Remote Similarity NPD4380 Phase 2
0.6474 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6471 Remote Similarity NPD1243 Approved
0.6471 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6463 Remote Similarity NPD1048 Approved
0.6462 Remote Similarity NPD6647 Phase 2
0.646 Remote Similarity NPD8455 Phase 2
0.6456 Remote Similarity NPD957 Approved
0.6447 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6447 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6447 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6444 Remote Similarity NPD969 Suspended
0.6443 Remote Similarity NPD4618 Approved
0.6443 Remote Similarity NPD4622 Approved
0.6434 Remote Similarity NPD3685 Discontinued
0.6429 Remote Similarity NPD3818 Discontinued
0.6424 Remote Similarity NPD1247 Approved
0.6424 Remote Similarity NPD3748 Approved
0.642 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6419 Remote Similarity NPD8032 Phase 2
0.6412 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6412 Remote Similarity NPD1237 Approved
0.6407 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6407 Remote Similarity NPD6166 Phase 2
0.6407 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6405 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6402 Remote Similarity NPD6315 Phase 2
0.6398 Remote Similarity NPD6844 Discontinued
0.6398 Remote Similarity NPD1934 Approved
0.6395 Remote Similarity NPD8312 Approved
0.6395 Remote Similarity NPD8313 Approved
0.6392 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6391 Remote Similarity NPD5844 Phase 1
0.6389 Remote Similarity NPD3225 Approved
0.6386 Remote Similarity NPD6808 Phase 2
0.6376 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6376 Remote Similarity NPD2979 Phase 3
0.6369 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9697 Approved
0.6364 Remote Similarity NPD1652 Phase 2
0.6358 Remote Similarity NPD7972 Discontinued
0.6358 Remote Similarity NPD5689 Approved

Structure

External Identifiers

PubChem CID   10959715
ChEMBL   CHEMBL484250
ZINC  

Physicochemical Properties

Molecular Weight:  374.25
ALogP:  2.0797
MLogP:  3.55
XLogP:  5.72
# Rotatable Bonds:  18
Polar Surface Area:  59.67
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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