Natural Product: NPC476059

Natural Product ID:  NPC476059
Common Name:   Claviridenone G
IUPAC Name:   methyl (E,7Z)-7-[2-(acetyloxymethyl)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Synonyms:   Claviridenone G
Molecular Formula:   C24H34O5
Standard InCHIKey:  FFJWZZQBWBDIJB-NNKPSZQASA-N
Standard InCHI:  InChI=1S/C24H34O5/c1-4-5-6-7-10-13-17-24(19-29-20(2)25)18-16-22(26)21(24)14-11-8-9-12-15-23(27)28-3/h8,10-11,13-14,16,18H,4-7,9,12,15,17,19H2,1-3H3/b11-8+,13-10-,21-14+
Canonical SMILES:  CCCCC/C=CCC1(COC(=O)C)C=CC(=O)/C/1=CC=CCCCC(=O)OC
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
NPO3077 Clavularia viridis Species Clavulariidae Eukaryota PMID[12444673]
NPO33409 clavularia violacea Species Clavulariidae Eukaryota PMID[12444673]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens ED50 = 1.22 ug/ml 18829331
NPT81 Cell Line A549 Homo sapiens ED50 = 5.1 ug/ml 18829331
NPT168 Cell Line P388 Mus musculus ED50 = 2.6 ug/ml 18829331

  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 NPC476059 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 NPC473603
0.8451 Intermediate Similarity NPC287878
0.7945 Intermediate Similarity NPC238948
0.7945 Intermediate Similarity NPC215745
0.7945 Intermediate Similarity NPC12815
0.7941 Intermediate Similarity NPC322457
0.7681 Intermediate Similarity NPC474658
0.7671 Intermediate Similarity NPC318766
0.7639 Intermediate Similarity NPC470256
0.7632 Intermediate Similarity NPC4492
0.7632 Intermediate Similarity NPC51391
0.7534 Intermediate Similarity NPC476591
0.7534 Intermediate Similarity NPC88877
0.75 Intermediate Similarity NPC203335
0.75 Intermediate Similarity NPC21998
0.75 Intermediate Similarity NPC194871
0.7432 Intermediate Similarity NPC469660
0.7403 Intermediate Similarity NPC27205
0.7403 Intermediate Similarity NPC472967
0.7403 Intermediate Similarity NPC266159
0.7375 Intermediate Similarity NPC474980
0.7375 Intermediate Similarity NPC275507
0.7375 Intermediate Similarity NPC42470
0.7368 Intermediate Similarity NPC259599
0.7368 Intermediate Similarity NPC476355
0.7368 Intermediate Similarity NPC294434
0.7368 Intermediate Similarity NPC15499
0.7368 Intermediate Similarity NPC117746
0.7368 Intermediate Similarity NPC140287
0.7342 Intermediate Similarity NPC63649
0.7342 Intermediate Similarity NPC264227
0.7342 Intermediate Similarity NPC471299
0.7342 Intermediate Similarity NPC472965
0.7342 Intermediate Similarity NPC265980
0.7342 Intermediate Similarity NPC63326
0.7333 Intermediate Similarity NPC257618
0.7297 Intermediate Similarity NPC470693
0.7286 Intermediate Similarity NPC151648
0.7237 Intermediate Similarity NPC276336
0.7222 Intermediate Similarity NPC470688
0.7215 Intermediate Similarity NPC253749
0.7195 Intermediate Similarity NPC16488
0.7183 Intermediate Similarity NPC155849
0.7179 Intermediate Similarity NPC123360
0.716 Intermediate Similarity NPC471325
0.7143 Intermediate Similarity NPC143857
0.7143 Intermediate Similarity NPC474758
0.7143 Intermediate Similarity NPC79756
0.7143 Intermediate Similarity NPC229252
0.7125 Intermediate Similarity NPC158565
0.7125 Intermediate Similarity NPC270126
0.7125 Intermediate Similarity NPC178277
0.7123 Intermediate Similarity NPC248125
0.7121 Intermediate Similarity NPC37644
0.7108 Intermediate Similarity NPC38569
0.7108 Intermediate Similarity NPC163615
0.7105 Intermediate Similarity NPC316185
0.7105 Intermediate Similarity NPC163003
0.7105 Intermediate Similarity NPC67076
0.7105 Intermediate Similarity NPC319163
0.7089 Intermediate Similarity NPC97516
0.7089 Intermediate Similarity NPC57744
0.7089 Intermediate Similarity NPC473825
0.7073 Intermediate Similarity NPC26624
0.7073 Intermediate Similarity NPC94200
0.7067 Intermediate Similarity NPC236208
0.7059 Intermediate Similarity NPC252860
0.7042 Intermediate Similarity NPC228574
0.7042 Intermediate Similarity NPC294304
0.7037 Intermediate Similarity NPC160582
0.7027 Intermediate Similarity NPC106613
0.7024 Intermediate Similarity NPC21471
0.7024 Intermediate Similarity NPC470177
0.7024 Intermediate Similarity NPC161957
0.7024 Intermediate Similarity NPC33570
0.7024 Intermediate Similarity NPC155873
0.7015 Intermediate Similarity NPC322461
0.7013 Intermediate Similarity NPC222244
0.7013 Intermediate Similarity NPC472956
0.7013 Intermediate Similarity NPC16349
0.7013 Intermediate Similarity NPC470237
0.7011 Intermediate Similarity NPC475965
0.7011 Intermediate Similarity NPC474842
0.7 Intermediate Similarity NPC279532
0.7 Intermediate Similarity NPC108816
0.7 Intermediate Similarity NPC93763
0.7 Intermediate Similarity NPC128276
0.6988 Remote Similarity NPC108045
0.6988 Remote Similarity NPC475622
0.6988 Remote Similarity NPC118423
0.6986 Remote Similarity NPC131174
0.6986 Remote Similarity NPC220766
0.6986 Remote Similarity NPC133904
0.6974 Remote Similarity NPC475310
0.697 Remote Similarity NPC170167
0.6951 Remote Similarity NPC286229
0.6951 Remote Similarity NPC255580
0.6951 Remote Similarity NPC39411
0.6944 Remote Similarity NPC210303
0.6944 Remote Similarity NPC44343
0.6944 Remote Similarity NPC474774
0.6944 Remote Similarity NPC179087
0.6941 Remote Similarity NPC70555
0.6941 Remote Similarity NPC315395
0.6941 Remote Similarity NPC104961
0.6941 Remote Similarity NPC316426
0.6941 Remote Similarity NPC70422
0.6941 Remote Similarity NPC168248
0.6932 Remote Similarity NPC150978
0.6932 Remote Similarity NPC123177
0.6932 Remote Similarity NPC70595
0.6932 Remote Similarity NPC74103
0.6923 Remote Similarity NPC227396
0.6923 Remote Similarity NPC476590
0.6923 Remote Similarity NPC107654
0.6923 Remote Similarity NPC114727
0.6923 Remote Similarity NPC315843
0.6923 Remote Similarity NPC160540
0.6914 Remote Similarity NPC469620
0.6914 Remote Similarity NPC469690
0.6905 Remote Similarity NPC474865
0.6905 Remote Similarity NPC31086
0.6905 Remote Similarity NPC115786
0.6897 Remote Similarity NPC284561
0.6897 Remote Similarity NPC474844
0.6892 Remote Similarity NPC191233
0.6875 Remote Similarity NPC470240
0.6875 Remote Similarity NPC15975
0.6875 Remote Similarity NPC68156
0.6875 Remote Similarity NPC476794
0.6875 Remote Similarity NPC195785
0.6875 Remote Similarity NPC476028
0.6875 Remote Similarity NPC171204
0.6875 Remote Similarity NPC141789
0.6867 Remote Similarity NPC471296
0.6867 Remote Similarity NPC268122
0.6867 Remote Similarity NPC173609
0.6866 Remote Similarity NPC296311
0.686 Remote Similarity NPC473248
0.6849 Remote Similarity NPC34883
0.6835 Remote Similarity NPC244166
0.6835 Remote Similarity NPC193351
0.6835 Remote Similarity NPC169056
0.6835 Remote Similarity NPC324762
0.6835 Remote Similarity NPC226669
0.6835 Remote Similarity NPC225665
0.6835 Remote Similarity NPC260396
0.6835 Remote Similarity NPC155587
0.6835 Remote Similarity NPC228978
0.6835 Remote Similarity NPC138408
0.6835 Remote Similarity NPC166018
0.6829 Remote Similarity NPC302426
0.6829 Remote Similarity NPC281132
0.6829 Remote Similarity NPC223904
0.6829 Remote Similarity NPC304795
0.6818 Remote Similarity NPC469372
0.6818 Remote Similarity NPC253144
0.6818 Remote Similarity NPC244452
0.6812 Remote Similarity NPC325977
0.6806 Remote Similarity NPC260573
0.6795 Remote Similarity NPC474705
0.6795 Remote Similarity NPC58956
0.6795 Remote Similarity NPC144947
0.6795 Remote Similarity NPC284006
0.6795 Remote Similarity NPC269206
0.6795 Remote Similarity NPC295633
0.679 Remote Similarity NPC99182
0.679 Remote Similarity NPC469510
0.679 Remote Similarity NPC182292
0.679 Remote Similarity NPC192006
0.679 Remote Similarity NPC471220
0.679 Remote Similarity NPC267231
0.679 Remote Similarity NPC474005
0.6786 Remote Similarity NPC215294
0.6786 Remote Similarity NPC39588
0.6786 Remote Similarity NPC474790
0.6786 Remote Similarity NPC474976
0.6786 Remote Similarity NPC161045
0.6782 Remote Similarity NPC153570
0.6778 Remote Similarity NPC477129
0.6778 Remote Similarity NPC477130
0.6761 Remote Similarity NPC329249
0.6757 Remote Similarity NPC182794
0.6753 Remote Similarity NPC472955
0.675 Remote Similarity NPC203277
0.675 Remote Similarity NPC40353
0.675 Remote Similarity NPC4509
0.6747 Remote Similarity NPC281949
0.6747 Remote Similarity NPC301477
0.6747 Remote Similarity NPC25684
0.6747 Remote Similarity NPC474955
0.6744 Remote Similarity NPC234038
0.6744 Remote Similarity NPC107787
0.6744 Remote Similarity NPC211892
0.6744 Remote Similarity NPC291712
0.6742 Remote Similarity NPC284185
0.6716 Remote Similarity NPC216407
0.6714 Remote Similarity NPC211752
0.6714 Remote Similarity NPC323498
0.6714 Remote Similarity NPC323597

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476059 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
0.7722 Intermediate Similarity NPD5209 Approved
0.6875 Remote Similarity NPD5343 Approved
0.6835 Remote Similarity NPD8039 Approved
0.6629 Remote Similarity NPD5785 Approved
0.6627 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6622 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6437 Remote Similarity NPD1694 Approved
0.6437 Remote Similarity NPD5363 Approved
0.6406 Remote Similarity NPD6097 Approved
0.6406 Remote Similarity NPD6096 Approved
0.6404 Remote Similarity NPD5737 Approved
0.6404 Remote Similarity NPD6672 Approved
0.6395 Remote Similarity NPD7154 Phase 3
0.6386 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6409 Approved
0.6364 Remote Similarity NPD5330 Approved
0.6364 Remote Similarity NPD7521 Approved
0.6364 Remote Similarity NPD6684 Approved
0.6364 Remote Similarity NPD7334 Approved
0.6364 Remote Similarity NPD7146 Approved
0.6353 Remote Similarity NPD5369 Approved
0.6324 Remote Similarity NPD6927 Phase 3
0.6316 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6265 Remote Similarity NPD4756 Discovery
0.6264 Remote Similarity NPD5207 Approved
0.625 Remote Similarity NPD8779 Phase 3
0.6235 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6235 Remote Similarity NPD4252 Approved
0.6234 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6222 Remote Similarity NPD6903 Approved
0.6222 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6216 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6207 Remote Similarity NPD5362 Discontinued
0.6196 Remote Similarity NPD5694 Approved
0.6196 Remote Similarity NPD6050 Approved
0.6196 Remote Similarity NPD7637 Suspended
0.6196 Remote Similarity NPD6411 Approved
0.6154 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6133 Remote Similarity NPD4193 Approved
0.6133 Remote Similarity NPD4192 Approved
0.6133 Remote Similarity NPD4191 Approved
0.6133 Remote Similarity NPD4194 Approved
0.6129 Remote Similarity NPD6399 Phase 3
0.6098 Remote Similarity NPD4058 Approved
0.6092 Remote Similarity NPD4270 Approved
0.6092 Remote Similarity NPD6435 Approved
0.6092 Remote Similarity NPD4269 Approved
0.6087 Remote Similarity NPD7838 Discovery
0.6087 Remote Similarity NPD5692 Phase 3
0.6064 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6064 Remote Similarity NPD7900 Approved
0.6064 Remote Similarity NPD5282 Discontinued
0.6061 Remote Similarity NPD6647 Phase 2
0.6061 Remote Similarity NPD3174 Discontinued
0.6022 Remote Similarity NPD5281 Approved
0.6022 Remote Similarity NPD5284 Approved
0.6 Remote Similarity NPD5786 Approved
0.6 Remote Similarity NPD4268 Approved
0.6 Remote Similarity NPD4271 Approved
0.6 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5979 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5978 Remote Similarity NPD6101 Approved
0.5978 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5978 Remote Similarity NPD6080 Approved
0.5978 Remote Similarity NPD6904 Approved
0.5978 Remote Similarity NPD6673 Approved
0.5946 Remote Similarity NPD6109 Phase 1
0.5934 Remote Similarity NPD3573 Approved
0.5904 Remote Similarity NPD4687 Approved
0.5904 Remote Similarity NPD5733 Approved
0.5895 Remote Similarity NPD7748 Approved
0.5889 Remote Similarity NPD1696 Phase 3
0.5889 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5876 Remote Similarity NPD7902 Approved
0.5876 Remote Similarity NPD6083 Phase 2
0.5876 Remote Similarity NPD6084 Phase 2
0.5865 Remote Similarity NPD6371 Approved
0.5862 Remote Similarity NPD4820 Approved
0.5862 Remote Similarity NPD4821 Approved
0.5862 Remote Similarity NPD4819 Approved
0.5862 Remote Similarity NPD4822 Approved
0.5862 Remote Similarity NPD5368 Approved
0.5857 Remote Similarity NPD29 Approved
0.5857 Remote Similarity NPD28 Approved
0.5854 Remote Similarity NPD5276 Approved
0.5851 Remote Similarity NPD7983 Approved
0.5843 Remote Similarity NPD5331 Approved
0.5843 Remote Similarity NPD5332 Approved
0.5833 Remote Similarity NPD9298 Approved
0.5833 Remote Similarity NPD5695 Phase 3
0.5823 Remote Similarity NPD7331 Phase 2
0.5821 Remote Similarity NPD4222 Approved
0.5821 Remote Similarity NPD39 Approved
0.5816 Remote Similarity NPD5696 Approved
0.5816 Remote Similarity NPD4225 Approved
0.5806 Remote Similarity NPD5370 Suspended
0.5806 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5806 Remote Similarity NPD1695 Approved
0.5797 Remote Similarity NPD3173 Approved
0.5797 Remote Similarity NPD4220 Pre-registration
0.5795 Remote Similarity NPD4790 Discontinued
0.5789 Remote Similarity NPD5779 Approved
0.5789 Remote Similarity NPD5778 Approved
0.5778 Remote Similarity NPD5766 Clinical (unspecified phase)
0.5761 Remote Similarity NPD4251 Approved
0.5761 Remote Similarity NPD4250 Approved
0.5745 Remote Similarity NPD46 Approved
0.5745 Remote Similarity NPD6698 Approved
0.5732 Remote Similarity NPD4691 Approved
0.5714 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5699 Remote Similarity NPD5208 Approved
0.5684 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5684 Remote Similarity NPD5693 Phase 1
0.5684 Remote Similarity NPD7515 Phase 2
0.5682 Remote Similarity NPD4695 Discontinued
0.5673 Remote Similarity NPD6881 Approved
0.5673 Remote Similarity NPD6899 Approved
0.567 Remote Similarity NPD5654 Approved
0.5667 Remote Similarity NPD6110 Phase 1
0.566 Remote Similarity NPD6650 Approved
0.566 Remote Similarity NPD6649 Approved
0.5657 Remote Similarity NPD7638 Approved
0.5652 Remote Similarity NPD6098 Approved
0.5652 Remote Similarity NPD6422 Discontinued
0.5652 Remote Similarity NPD4249 Approved
0.5652 Remote Similarity NPD5279 Phase 3
0.5641 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5631 Remote Similarity NPD6008 Approved
0.5625 Remote Similarity NPD5783 Phase 3
0.5616 Remote Similarity NPD4266 Approved
0.5616 Remote Similarity NPD3196 Approved
0.5616 Remote Similarity NPD3194 Approved
0.5616 Remote Similarity NPD3195 Phase 2
0.5612 Remote Similarity NPD7839 Suspended
0.561 Remote Similarity NPD4137 Phase 3
0.56 Remote Similarity NPD7640 Approved
0.56 Remote Similarity NPD7639 Approved

Structure

External Identifiers

PubChem CID   44575980
ChEMBL   CHEMBL523811
ZINC  

Physicochemical Properties

Molecular Weight:  402.24
ALogP:  0.6434
MLogP:  3.55
XLogP:  5.767
# Rotatable Bonds:  18
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  29

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs