Natural Product: NPC329819

Natural Product ID:  NPC329819
Common Name:   Z-Stellettic Acid C
IUPAC Name:   (7Z)-12-methyloctadeca-7,17-dien-5-ynoic acid
Synonyms:  
Molecular Formula:   C19H30O2
Standard InCHIKey:  MYZUKLSBSYDRBA-VURMDHGXSA-N
Standard InCHI:  InChI=1S/C19H30O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h3,6,8,18H,1,4-5,10-17H2,2H3,(H,20,21)/b8-6-
Canonical SMILES:  C=CCCCCC(CCC/C=CC#CCCCC(=O)O)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
NPO33189 Stelletta sp. Species Ancorinidae Eukaryota (20 m depth) off Ullung Island, Korea 2001-OCT PMID[12662102]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens ED50 = 4.3 ug/ml 12662102
NPT146 Cell Line SK-OV-3 Homo sapiens ED50 = 3.9 ug/ml 12662102
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 3.4 ug/ml 12662102
NPT574 Cell Line XF498 Homo sapiens ED50 = 4.1 ug/ml 12662102
NPT148 Cell Line HCT-15 Homo sapiens ED50 = 4.8 ug/ml 12662102

  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 NPC329819 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
0.9444 High Similarity NPC477984
0.8704 High Similarity NPC48162
0.8276 Intermediate Similarity NPC187777
0.8276 Intermediate Similarity NPC179764
0.8197 Intermediate Similarity NPC125312
0.8197 Intermediate Similarity NPC174560
0.8182 Intermediate Similarity NPC477981
0.8182 Intermediate Similarity NPC477983
0.8182 Intermediate Similarity NPC59051
0.8103 Intermediate Similarity NPC473863
0.8103 Intermediate Similarity NPC54766
0.8103 Intermediate Similarity NPC274290
0.8103 Intermediate Similarity NPC45626
0.8036 Intermediate Similarity NPC284212
0.8036 Intermediate Similarity NPC28205
0.7969 Intermediate Similarity NPC477982
0.7963 Intermediate Similarity NPC42304
0.7895 Intermediate Similarity NPC129458
0.7895 Intermediate Similarity NPC92114
0.7833 Intermediate Similarity NPC225929
0.7818 Intermediate Similarity NPC91495
0.7778 Intermediate Similarity NPC117572
0.7759 Intermediate Similarity NPC36061
0.7759 Intermediate Similarity NPC294548
0.7759 Intermediate Similarity NPC1813
0.7759 Intermediate Similarity NPC139029
0.7759 Intermediate Similarity NPC225066
0.7759 Intermediate Similarity NPC10081
0.7727 Intermediate Similarity NPC476614
0.7727 Intermediate Similarity NPC477980
0.7714 Intermediate Similarity NPC470899
0.7679 Intermediate Similarity NPC5413
0.7679 Intermediate Similarity NPC149821
0.7656 Intermediate Similarity NPC234767
0.7627 Intermediate Similarity NPC25417
0.7627 Intermediate Similarity NPC281972
0.7627 Intermediate Similarity NPC85813
0.7627 Intermediate Similarity NPC32467
0.7627 Intermediate Similarity NPC261831
0.7627 Intermediate Similarity NPC88966
0.7627 Intermediate Similarity NPC424
0.7627 Intermediate Similarity NPC6095
0.7627 Intermediate Similarity NPC290563
0.7627 Intermediate Similarity NPC154245
0.7627 Intermediate Similarity NPC87564
0.7586 Intermediate Similarity NPC281245
0.7586 Intermediate Similarity NPC303765
0.7586 Intermediate Similarity NPC18357
0.75 Intermediate Similarity NPC474672
0.75 Intermediate Similarity NPC322457
0.75 Intermediate Similarity NPC67367
0.75 Intermediate Similarity NPC207292
0.7463 Intermediate Similarity NPC273508
0.7463 Intermediate Similarity NPC209327
0.746 Intermediate Similarity NPC235242
0.7458 Intermediate Similarity NPC321062
0.7458 Intermediate Similarity NPC70387
0.7419 Intermediate Similarity NPC267817
0.7414 Intermediate Similarity NPC470410
0.7414 Intermediate Similarity NPC470412
0.7385 Intermediate Similarity NPC34883
0.7377 Intermediate Similarity NPC18951
0.7377 Intermediate Similarity NPC477201
0.7313 Intermediate Similarity NPC60120
0.7297 Intermediate Similarity NPC200446
0.7288 Intermediate Similarity NPC216407
0.7286 Intermediate Similarity NPC321017
0.726 Intermediate Similarity NPC469495
0.7246 Intermediate Similarity NPC318766
0.7241 Intermediate Similarity NPC224227
0.7206 Intermediate Similarity NPC53302
0.7183 Intermediate Similarity NPC3753
0.7183 Intermediate Similarity NPC237591
0.7183 Intermediate Similarity NPC103958
0.7183 Intermediate Similarity NPC476046
0.7183 Intermediate Similarity NPC241854
0.7183 Intermediate Similarity NPC283908
0.7183 Intermediate Similarity NPC161923
0.7183 Intermediate Similarity NPC251970
0.7183 Intermediate Similarity NPC183503
0.7183 Intermediate Similarity NPC55527
0.7164 Intermediate Similarity NPC308294
0.7164 Intermediate Similarity NPC142423
0.7162 Intermediate Similarity NPC209995
0.7143 Intermediate Similarity NPC160817
0.7143 Intermediate Similarity NPC288667
0.7121 Intermediate Similarity NPC226592
0.7121 Intermediate Similarity NPC470320
0.7119 Intermediate Similarity NPC262968
0.7097 Intermediate Similarity NPC325977
0.7091 Intermediate Similarity NPC270796
0.7083 Intermediate Similarity NPC68624
0.7083 Intermediate Similarity NPC279666
0.7083 Intermediate Similarity NPC476844
0.7083 Intermediate Similarity NPC192540
0.7059 Intermediate Similarity NPC472875
0.7049 Intermediate Similarity NPC322461
0.7049 Intermediate Similarity NPC137538
0.7031 Intermediate Similarity NPC106851
0.7031 Intermediate Similarity NPC274927
0.7 Intermediate Similarity NPC170167
0.7 Intermediate Similarity NPC161366
0.6986 Remote Similarity NPC279537
0.6986 Remote Similarity NPC69143
0.6986 Remote Similarity NPC469514
0.6944 Remote Similarity NPC301065
0.6935 Remote Similarity NPC52264
0.6923 Remote Similarity NPC251042
0.6923 Remote Similarity NPC122521
0.6923 Remote Similarity NPC243532
0.6923 Remote Similarity NPC174447
0.6912 Remote Similarity NPC197089
0.6901 Remote Similarity NPC319163
0.6901 Remote Similarity NPC126061
0.6901 Remote Similarity NPC67076
0.6897 Remote Similarity NPC180534
0.6892 Remote Similarity NPC281296
0.6885 Remote Similarity NPC39633
0.6885 Remote Similarity NPC139545
0.6885 Remote Similarity NPC284224
0.6885 Remote Similarity NPC309606
0.6875 Remote Similarity NPC469373
0.6857 Remote Similarity NPC67608
0.6849 Remote Similarity NPC81052
0.6849 Remote Similarity NPC199445
0.6849 Remote Similarity NPC201027
0.6833 Remote Similarity NPC244452
0.6833 Remote Similarity NPC178586
0.6825 Remote Similarity NPC473733
0.6825 Remote Similarity NPC327388
0.6818 Remote Similarity NPC320305
0.6818 Remote Similarity NPC201939
0.6818 Remote Similarity NPC321838
0.6818 Remote Similarity NPC328776
0.6818 Remote Similarity NPC40082
0.6812 Remote Similarity NPC278895
0.6806 Remote Similarity NPC35656
0.68 Remote Similarity NPC179028
0.68 Remote Similarity NPC121200
0.68 Remote Similarity NPC192006
0.68 Remote Similarity NPC218817
0.68 Remote Similarity NPC11796
0.6774 Remote Similarity NPC87394
0.6761 Remote Similarity NPC67183
0.6757 Remote Similarity NPC61863
0.6757 Remote Similarity NPC110461
0.6757 Remote Similarity NPC309399
0.6757 Remote Similarity NPC12740
0.6757 Remote Similarity NPC180886
0.6719 Remote Similarity NPC211752
0.6719 Remote Similarity NPC165808
0.6719 Remote Similarity NPC323498
0.6719 Remote Similarity NPC323597
0.6719 Remote Similarity NPC323436
0.6716 Remote Similarity NPC29697
0.6716 Remote Similarity NPC155849
0.6712 Remote Similarity NPC472966
0.6712 Remote Similarity NPC213223
0.6667 Remote Similarity NPC10316
0.6667 Remote Similarity NPC327112
0.6667 Remote Similarity NPC471897
0.6667 Remote Similarity NPC200845
0.6667 Remote Similarity NPC329773
0.6667 Remote Similarity NPC165711
0.6667 Remote Similarity NPC100719
0.6667 Remote Similarity NPC61952
0.6667 Remote Similarity NPC28779
0.6667 Remote Similarity NPC240170
0.6667 Remote Similarity NPC126899
0.6667 Remote Similarity NPC108195
0.6667 Remote Similarity NPC46151
0.6667 Remote Similarity NPC166791
0.6667 Remote Similarity NPC322035
0.6667 Remote Similarity NPC128061
0.6667 Remote Similarity NPC471899
0.6667 Remote Similarity NPC3531
0.6667 Remote Similarity NPC289388
0.6667 Remote Similarity NPC228473
0.6667 Remote Similarity NPC223677
0.6667 Remote Similarity NPC107039
0.6667 Remote Similarity NPC328311
0.6667 Remote Similarity NPC304665
0.6667 Remote Similarity NPC120776
0.6667 Remote Similarity NPC107668
0.6667 Remote Similarity NPC154728
0.6667 Remote Similarity NPC29328
0.6622 Remote Similarity NPC329852
0.6622 Remote Similarity NPC476795
0.662 Remote Similarity NPC265574
0.662 Remote Similarity NPC469914
0.662 Remote Similarity NPC199557
0.662 Remote Similarity NPC101622
0.6618 Remote Similarity NPC53642
0.6618 Remote Similarity NPC68343
0.6618 Remote Similarity NPC328089
0.6618 Remote Similarity NPC470325
0.6618 Remote Similarity NPC469723
0.6615 Remote Similarity NPC34416
0.6613 Remote Similarity NPC71761
0.661 Remote Similarity NPC477878

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329819 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
0.7778 Intermediate Similarity NPD4222 Approved
0.7759 Intermediate Similarity NPD3172 Approved
0.7679 Intermediate Similarity NPD3173 Approved
0.7627 Intermediate Similarity NPD4266 Approved
0.7627 Intermediate Similarity NPD3196 Approved
0.7627 Intermediate Similarity NPD3195 Phase 2
0.7627 Intermediate Similarity NPD3194 Approved
0.7455 Intermediate Similarity NPD39 Approved
0.7143 Intermediate Similarity NPD3174 Discontinued
0.7119 Intermediate Similarity NPD28 Approved
0.7119 Intermediate Similarity NPD29 Approved
0.7091 Intermediate Similarity NPD5326 Phase 3
0.7013 Intermediate Similarity NPD5331 Approved
0.7013 Intermediate Similarity NPD5332 Approved
0.6897 Remote Similarity NPD622 Approved
0.6852 Remote Similarity NPD9635 Discontinued
0.68 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7331 Phase 2
0.6667 Remote Similarity NPD9450 Approved
0.6667 Remote Similarity NPD77 Approved
0.6667 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6623 Remote Similarity NPD5368 Approved
0.6623 Remote Similarity NPD4820 Approved
0.6623 Remote Similarity NPD4822 Approved
0.6623 Remote Similarity NPD4819 Approved
0.6623 Remote Similarity NPD4821 Approved
0.6618 Remote Similarity NPD3197 Phase 1
0.661 Remote Similarity NPD5343 Approved
0.6579 Remote Similarity NPD4271 Approved
0.6579 Remote Similarity NPD4268 Approved
0.6567 Remote Similarity NPD4194 Approved
0.6567 Remote Similarity NPD4193 Approved
0.6567 Remote Similarity NPD4191 Approved
0.6567 Remote Similarity NPD4192 Approved
0.6552 Remote Similarity NPD634 Phase 3
0.6538 Remote Similarity NPD5369 Approved
0.6456 Remote Similarity NPD6435 Approved
0.6456 Remote Similarity NPD4269 Approved
0.6456 Remote Similarity NPD4270 Approved
0.642 Remote Similarity NPD6082 Clinical (unspecified phase)
0.641 Remote Similarity NPD4252 Approved
0.641 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6375 Remote Similarity NPD7154 Phase 3
0.6375 Remote Similarity NPD5362 Discontinued
0.6364 Remote Similarity NPD3732 Approved
0.6329 Remote Similarity NPD4790 Discontinued
0.6286 Remote Similarity NPD7341 Phase 2
0.622 Remote Similarity NPD5363 Approved
0.619 Remote Similarity NPD3186 Phase 1
0.6184 Remote Similarity NPD8039 Approved
0.6145 Remote Similarity NPD4519 Discontinued
0.6145 Remote Similarity NPD5786 Approved
0.6145 Remote Similarity NPD4623 Approved
0.6125 Remote Similarity NPD857 Phase 3
0.6119 Remote Similarity NPD6109 Phase 1
0.6102 Remote Similarity NPD6096 Approved
0.6102 Remote Similarity NPD6097 Approved
0.6056 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6 Remote Similarity NPD4518 Approved
0.5968 Remote Similarity NPD4220 Pre-registration
0.5952 Remote Similarity NPD4249 Approved
0.5952 Remote Similarity NPD4688 Approved
0.5952 Remote Similarity NPD4689 Approved
0.5952 Remote Similarity NPD5205 Approved
0.5952 Remote Similarity NPD4690 Approved
0.5952 Remote Similarity NPD4138 Approved
0.5952 Remote Similarity NPD4693 Phase 3
0.593 Remote Similarity NPD5764 Clinical (unspecified phase)
0.593 Remote Similarity NPD5346 Phase 2
0.593 Remote Similarity NPD5347 Phase 2
0.593 Remote Similarity NPD6101 Approved
0.5926 Remote Similarity NPD9447 Approved
0.5915 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5909 Remote Similarity NPD4627 Clinical (unspecified phase)
0.5904 Remote Similarity NPD5766 Clinical (unspecified phase)
0.589 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5882 Remote Similarity NPD4251 Approved
0.5882 Remote Similarity NPD4250 Approved
0.5862 Remote Similarity NPD5785 Approved
0.5814 Remote Similarity NPD5208 Approved
0.5802 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5802 Remote Similarity NPD4695 Discontinued
0.5795 Remote Similarity NPD6411 Approved
0.5795 Remote Similarity NPD5281 Approved
0.5795 Remote Similarity NPD7983 Approved
0.5795 Remote Similarity NPD5284 Approved
0.5781 Remote Similarity NPD6927 Phase 3
0.5775 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5758 Remote Similarity NPD615 Clinical (unspecified phase)
0.5747 Remote Similarity NPD5370 Suspended
0.5747 Remote Similarity NPD800 Approved
0.5732 Remote Similarity NPD4692 Approved
0.5732 Remote Similarity NPD4139 Approved
0.573 Remote Similarity NPD5779 Approved
0.573 Remote Similarity NPD5778 Approved
0.5714 Remote Similarity NPD9449 Clinical (unspecified phase)
0.5698 Remote Similarity NPD4793 Discontinued
0.5682 Remote Similarity NPD1089 Approved
0.5682 Remote Similarity NPD1090 Approved
0.5682 Remote Similarity NPD46 Approved
0.5682 Remote Similarity NPD1086 Approved
0.5682 Remote Similarity NPD6698 Approved
0.5672 Remote Similarity NPD342 Phase 1
0.5667 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5663 Remote Similarity NPD4221 Approved
0.5663 Remote Similarity NPD5209 Approved
0.5663 Remote Similarity NPD3667 Approved
0.5663 Remote Similarity NPD4223 Phase 3
0.5663 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5634 Remote Similarity NPD368 Approved
0.5625 Remote Similarity NPD4756 Discovery
0.5618 Remote Similarity NPD7637 Suspended
0.5618 Remote Similarity NPD7515 Phase 2
0.5618 Remote Similarity NPD4810 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10469489
ChEMBL   CHEMBL478780
ZINC  

Physicochemical Properties

Molecular Weight:  290.22
ALogP:  1.6269
MLogP:  3.33
XLogP:  7.526
# Rotatable Bonds:  14
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  21

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Biological Activities  
Similar NPs/Drugs