Natural Product: NPC155849

Natural Product ID:  NPC155849
Common Name:   Sarcophytonolide N
IUPAC Name:   methyl (1Z,3E,7E,11E)-7,11-dimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene-1-carboxylate
Synonyms:  
Molecular Formula:   C21H32O2
Standard InCHIKey:  JAXCRQBPGSFOHJ-ZPASOVNYSA-N
Standard InCHI:  InChI=1S/C21H32O2/c1-16(2)19-13-12-18(4)9-6-8-17(3)10-7-11-20(15-14-19)21(22)23-5/h9-10,14-16H,6-8,11-13H2,1-5H3/b17-10+,18-9+,19-14+,20-15-
Canonical SMILES:  COC(=O)/C/1=CC=C(/CC/C(=C/CC/C(=C/CC1)/C)/C)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
NPO20809 Sarcophyton trocheliophorum Species Alcyoniidae Eukaryota PMID[23859780]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 5950 nM 16417306

  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 NPC155849 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
0.8281 Intermediate Similarity NPC34883
0.803 Intermediate Similarity NPC142423
0.803 Intermediate Similarity NPC308294
0.8 Intermediate Similarity NPC474758
0.7971 Intermediate Similarity NPC257618
0.791 Intermediate Similarity NPC21998
0.7887 Intermediate Similarity NPC68624
0.7887 Intermediate Similarity NPC244166
0.7879 Intermediate Similarity NPC470688
0.7857 Intermediate Similarity NPC287878
0.7857 Intermediate Similarity NPC276336
0.7826 Intermediate Similarity NPC37929
0.7826 Intermediate Similarity NPC64234
0.7794 Intermediate Similarity NPC470256
0.7761 Intermediate Similarity NPC191233
0.7746 Intermediate Similarity NPC294434
0.7746 Intermediate Similarity NPC259599
0.7746 Intermediate Similarity NPC15499
0.7746 Intermediate Similarity NPC117746
0.7742 Intermediate Similarity NPC96663
0.7705 Intermediate Similarity NPC478120
0.7681 Intermediate Similarity NPC265574
0.7681 Intermediate Similarity NPC470693
0.7681 Intermediate Similarity NPC232812
0.7671 Intermediate Similarity NPC180290
0.7647 Intermediate Similarity NPC194871
0.7647 Intermediate Similarity NPC472266
0.7639 Intermediate Similarity NPC329852
0.7612 Intermediate Similarity NPC220766
0.76 Intermediate Similarity NPC474510
0.7576 Intermediate Similarity NPC217940
0.7571 Intermediate Similarity NPC469660
0.7571 Intermediate Similarity NPC67183
0.7538 Intermediate Similarity NPC79756
0.7536 Intermediate Similarity NPC313444
0.7534 Intermediate Similarity NPC27205
0.7532 Intermediate Similarity NPC16488
0.7532 Intermediate Similarity NPC170377
0.75 Intermediate Similarity NPC248125
0.75 Intermediate Similarity NPC140287
0.75 Intermediate Similarity NPC476355
0.75 Intermediate Similarity NPC42470
0.7465 Intermediate Similarity NPC316185
0.7465 Intermediate Similarity NPC163003
0.7432 Intermediate Similarity NPC57744
0.7429 Intermediate Similarity NPC151481
0.7424 Intermediate Similarity NPC151648
0.7414 Intermediate Similarity NPC128280
0.7403 Intermediate Similarity NPC221231
0.7403 Intermediate Similarity NPC471326
0.7397 Intermediate Similarity NPC469414
0.7397 Intermediate Similarity NPC228978
0.7397 Intermediate Similarity NPC329826
0.7391 Intermediate Similarity NPC203335
0.7377 Intermediate Similarity NPC216407
0.7342 Intermediate Similarity NPC197903
0.7342 Intermediate Similarity NPC474424
0.7342 Intermediate Similarity NPC99395
0.7333 Intermediate Similarity NPC236338
0.7333 Intermediate Similarity NPC128276
0.7324 Intermediate Similarity NPC316029
0.7324 Intermediate Similarity NPC473361
0.7324 Intermediate Similarity NPC315285
0.7324 Intermediate Similarity NPC329904
0.7313 Intermediate Similarity NPC322457
0.7313 Intermediate Similarity NPC68110
0.7313 Intermediate Similarity NPC210303
0.7313 Intermediate Similarity NPC474658
0.7313 Intermediate Similarity NPC44343
0.7313 Intermediate Similarity NPC179087
0.7302 Intermediate Similarity NPC188789
0.7302 Intermediate Similarity NPC478117
0.7297 Intermediate Similarity NPC40353
0.7297 Intermediate Similarity NPC473223
0.7297 Intermediate Similarity NPC123360
0.7286 Intermediate Similarity NPC218477
0.7286 Intermediate Similarity NPC276290
0.7273 Intermediate Similarity NPC471325
0.726 Intermediate Similarity NPC20025
0.726 Intermediate Similarity NPC315843
0.726 Intermediate Similarity NPC107654
0.725 Intermediate Similarity NPC315395
0.725 Intermediate Similarity NPC316426
0.725 Intermediate Similarity NPC164393
0.7246 Intermediate Similarity NPC315115
0.7246 Intermediate Similarity NPC185587
0.7241 Intermediate Similarity NPC270706
0.7237 Intermediate Similarity NPC178277
0.7237 Intermediate Similarity NPC264227
0.7237 Intermediate Similarity NPC63649
0.7237 Intermediate Similarity NPC472965
0.7222 Intermediate Similarity NPC84038
0.7215 Intermediate Similarity NPC14575
0.7215 Intermediate Similarity NPC196487
0.7206 Intermediate Similarity NPC226066
0.72 Intermediate Similarity NPC97516
0.72 Intermediate Similarity NPC41780
0.72 Intermediate Similarity NPC187568
0.72 Intermediate Similarity NPC68156
0.72 Intermediate Similarity NPC316324
0.7183 Intermediate Similarity NPC476591
0.7183 Intermediate Similarity NPC473603
0.7183 Intermediate Similarity NPC88877
0.7183 Intermediate Similarity NPC476059
0.7167 Intermediate Similarity NPC135698
0.7162 Intermediate Similarity NPC65650
0.7123 Intermediate Similarity NPC238948
0.7123 Intermediate Similarity NPC269206
0.7123 Intermediate Similarity NPC215745
0.7123 Intermediate Similarity NPC58956
0.7123 Intermediate Similarity NPC295633
0.7123 Intermediate Similarity NPC135703
0.7123 Intermediate Similarity NPC474705
0.7123 Intermediate Similarity NPC12815
0.7105 Intermediate Similarity NPC471220
0.7105 Intermediate Similarity NPC93763
0.7105 Intermediate Similarity NPC108816
0.7101 Intermediate Similarity NPC182794
0.7101 Intermediate Similarity NPC471556
0.7101 Intermediate Similarity NPC133904
0.7097 Intermediate Similarity NPC151919
0.7097 Intermediate Similarity NPC170167
0.7089 Intermediate Similarity NPC474790
0.7089 Intermediate Similarity NPC475947
0.7089 Intermediate Similarity NPC474976
0.7083 Intermediate Similarity NPC475310
0.7083 Intermediate Similarity NPC315597
0.7077 Intermediate Similarity NPC293437
0.7077 Intermediate Similarity NPC249850
0.7067 Intermediate Similarity NPC4509
0.7067 Intermediate Similarity NPC235906
0.7051 Intermediate Similarity NPC325031
0.7051 Intermediate Similarity NPC40228
0.7037 Intermediate Similarity NPC122502
0.7037 Intermediate Similarity NPC234038
0.7031 Intermediate Similarity NPC173157
0.7031 Intermediate Similarity NPC228473
0.7031 Intermediate Similarity NPC477984
0.7027 Intermediate Similarity NPC470686
0.7015 Intermediate Similarity NPC19241
0.7013 Intermediate Similarity NPC469690
0.7013 Intermediate Similarity NPC469617
0.7013 Intermediate Similarity NPC471299
0.7013 Intermediate Similarity NPC270126
0.6986 Remote Similarity NPC288667
0.6986 Remote Similarity NPC129665
0.6986 Remote Similarity NPC186531
0.6986 Remote Similarity NPC181587
0.6984 Remote Similarity NPC45283
0.6974 Remote Similarity NPC476794
0.6974 Remote Similarity NPC171204
0.6974 Remote Similarity NPC141789
0.6974 Remote Similarity NPC7563
0.6974 Remote Similarity NPC470240
0.6974 Remote Similarity NPC116177
0.6974 Remote Similarity NPC320630
0.6974 Remote Similarity NPC476028
0.6974 Remote Similarity NPC65603
0.6974 Remote Similarity NPC315394
0.697 Remote Similarity NPC21946
0.697 Remote Similarity NPC254095
0.6962 Remote Similarity NPC173609
0.6962 Remote Similarity NPC94200
0.6962 Remote Similarity NPC200513
0.6962 Remote Similarity NPC474291
0.6962 Remote Similarity NPC85772
0.6962 Remote Similarity NPC35556
0.6962 Remote Similarity NPC474028
0.6962 Remote Similarity NPC474439
0.6957 Remote Similarity NPC329698
0.6951 Remote Similarity NPC477228
0.6944 Remote Similarity NPC101622
0.6944 Remote Similarity NPC269841
0.6935 Remote Similarity NPC48162
0.6935 Remote Similarity NPC244452
0.6935 Remote Similarity NPC148056
0.6933 Remote Similarity NPC193351
0.6933 Remote Similarity NPC260396
0.6933 Remote Similarity NPC138408
0.6933 Remote Similarity NPC155587
0.6933 Remote Similarity NPC226669
0.6923 Remote Similarity NPC160582
0.6923 Remote Similarity NPC281132
0.6923 Remote Similarity NPC325977
0.6901 Remote Similarity NPC225272
0.6901 Remote Similarity NPC254886
0.6892 Remote Similarity NPC222244
0.6892 Remote Similarity NPC16349
0.6892 Remote Similarity NPC474543
0.6892 Remote Similarity NPC476490
0.6892 Remote Similarity NPC238425
0.6892 Remote Similarity NPC472018
0.6892 Remote Similarity NPC476489
0.6883 Remote Similarity NPC299235
0.6883 Remote Similarity NPC253749
0.6883 Remote Similarity NPC315765
0.6883 Remote Similarity NPC267231
0.6875 Remote Similarity NPC118423
0.6875 Remote Similarity NPC475989
0.6875 Remote Similarity NPC322461

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC155849 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
0.75 Intermediate Similarity NPD6927 Phase 3
0.7397 Intermediate Similarity NPD8039 Approved
0.7353 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD5325 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD5209 Approved
0.6962 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6721 Remote Similarity NPD5343 Approved
0.6667 Remote Similarity NPD4194 Approved
0.6667 Remote Similarity NPD4192 Approved
0.6667 Remote Similarity NPD4193 Approved
0.6667 Remote Similarity NPD4191 Approved
0.6613 Remote Similarity NPD4220 Pre-registration
0.6538 Remote Similarity NPD4756 Discovery
0.6512 Remote Similarity NPD7838 Discovery
0.6406 Remote Similarity NPD28 Approved
0.6406 Remote Similarity NPD29 Approved
0.6393 Remote Similarity NPD3174 Discontinued
0.6322 Remote Similarity NPD5785 Approved
0.6322 Remote Similarity NPD6698 Approved
0.6322 Remote Similarity NPD46 Approved
0.631 Remote Similarity NPD1694 Approved
0.623 Remote Similarity NPD6096 Approved
0.623 Remote Similarity NPD6097 Approved
0.6196 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6129 Remote Similarity NPD4222 Approved
0.6129 Remote Similarity NPD39 Approved
0.6119 Remote Similarity NPD3196 Approved
0.6119 Remote Similarity NPD3194 Approved
0.6119 Remote Similarity NPD3195 Phase 2
0.6119 Remote Similarity NPD4266 Approved
0.6118 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6118 Remote Similarity NPD5363 Approved
0.6118 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6094 Remote Similarity NPD3173 Approved
0.6081 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6081 Remote Similarity NPD7331 Phase 2
0.6076 Remote Similarity NPD1452 Discontinued
0.6071 Remote Similarity NPD7154 Phase 3
0.6071 Remote Similarity NPD5362 Discontinued
0.6049 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6 Remote Similarity NPD4247 Clinical (unspecified phase)
0.597 Remote Similarity NPD3172 Approved
0.5904 Remote Similarity NPD4820 Approved
0.5904 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5904 Remote Similarity NPD4819 Approved
0.5904 Remote Similarity NPD4822 Approved
0.5904 Remote Similarity NPD4821 Approved
0.5889 Remote Similarity NPD7983 Approved
0.5882 Remote Similarity NPD5332 Approved
0.5882 Remote Similarity NPD5331 Approved
0.5862 Remote Similarity NPD5330 Approved
0.5862 Remote Similarity NPD6684 Approved
0.5862 Remote Similarity NPD7334 Approved
0.5862 Remote Similarity NPD7146 Approved
0.5862 Remote Similarity NPD7521 Approved
0.5862 Remote Similarity NPD6409 Approved
0.5857 Remote Similarity NPD8779 Phase 3
0.5854 Remote Similarity NPD4271 Approved
0.5854 Remote Similarity NPD4268 Approved
0.5851 Remote Similarity NPD7638 Approved
0.5843 Remote Similarity NPD1695 Approved
0.5833 Remote Similarity NPD4790 Discontinued
0.5824 Remote Similarity NPD5778 Approved
0.5824 Remote Similarity NPD5779 Approved
0.5806 Remote Similarity NPD5326 Phase 3
0.5789 Remote Similarity NPD7639 Approved
0.5789 Remote Similarity NPD7640 Approved
0.5789 Remote Similarity NPD6648 Approved
0.5765 Remote Similarity NPD4270 Approved
0.5765 Remote Similarity NPD4269 Approved
0.575 Remote Similarity NPD5733 Approved
0.575 Remote Similarity NPD4058 Approved
0.5733 Remote Similarity NPD7341 Phase 2
0.573 Remote Similarity NPD7513 Clinical (unspecified phase)
0.573 Remote Similarity NPD6672 Approved
0.573 Remote Similarity NPD5737 Approved
0.573 Remote Similarity NPD6903 Approved
0.5714 Remote Similarity NPD6050 Approved
0.5714 Remote Similarity NPD4252 Approved
0.5714 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7637 Suspended
0.5714 Remote Similarity NPD5693 Phase 1
0.5699 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5696 Remote Similarity NPD5276 Approved
0.5684 Remote Similarity NPD4225 Approved
0.5684 Remote Similarity NPD5926 Approved
0.5682 Remote Similarity NPD5786 Approved
0.5667 Remote Similarity NPD6101 Approved
0.5667 Remote Similarity NPD5783 Phase 3
0.5667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5647 Remote Similarity NPD5369 Approved
0.5638 Remote Similarity NPD7839 Suspended
0.5625 Remote Similarity NPD6404 Discontinued
0.5625 Remote Similarity NPD4265 Approved
0.5618 Remote Similarity NPD3573 Approved
0.5612 Remote Similarity NPD6647 Phase 2
0.5604 Remote Similarity NPD5207 Approved
0.5604 Remote Similarity NPD5692 Phase 3
0.56 Remote Similarity NPD3197 Phase 1
0.56 Remote Similarity NPD7899 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   71770297
ChEMBL   CHEMBL2414197
ZINC  

Physicochemical Properties

Molecular Weight:  316.24
ALogP:  3.7177
MLogP:  3.55
XLogP:  6.056
# Rotatable Bonds:  8
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  23

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs