Natural Product: NPC475273

Natural Product ID:  NPC475273
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C36H56O8
Standard InCHIKey:  NSMGHRRDBZDSFL-WVGMNTNRSA-N
Standard InCHI:  InChI=1S/C36H56O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-42-29-27-30-33(22-37,41-30)31(39)35(40)26(20-24(4)28(35)38)36(27,44-34)25(5)21-32(29,43-34)23(2)3/h20,25-27,29-31,37,39-40H,2,6-19,21-22H2,1,3-5H3/t25-,26-,27-,29-,30+,31-,32-,33+,34-,35-,36+/m1/s1
Canonical SMILES:  CCCCCCCCCCCCCCC[C@@]12O[C@H]3[C@@](O1)(C[C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2([C@H]1C=C(C2=O)C)O)O)CO)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
NPO32646 synaptolepis kirkii Species Thymelaeaceae Eukaryota roots PMID[3210015]
NPO33116 synaptolepis retusa Species Thymelaeaceae Eukaryota roots PMID[3210015]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Activity = 0.04 nmol 23755850
NPT32 Organism Mus musculus Mus musculus Activity = 25 /nmol 10.6019/CHEMBL1201861

  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 NPC475273 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 NPC168849
0.9914 High Similarity NPC217901
0.9831 High Similarity NPC162495
0.9667 High Similarity NPC473485
0.9667 High Similarity NPC474508
0.9667 High Similarity NPC475139
0.9667 High Similarity NPC180902
0.9583 High Similarity NPC475606
0.9583 High Similarity NPC251564
0.9583 High Similarity NPC475314
0.9583 High Similarity NPC477189
0.9508 High Similarity NPC182266
0.9508 High Similarity NPC100017
0.9508 High Similarity NPC473548
0.9508 High Similarity NPC471136
0.9508 High Similarity NPC471137
0.9508 High Similarity NPC475500
0.9508 High Similarity NPC223356
0.9508 High Similarity NPC475154
0.9355 High Similarity NPC68282
0.9256 High Similarity NPC476078
0.9256 High Similarity NPC476091
0.9106 High Similarity NPC475389
0.9106 High Similarity NPC473838
0.9083 High Similarity NPC473802
0.9008 High Similarity NPC473709
0.9008 High Similarity NPC473919
0.8992 High Similarity NPC142882
0.8934 High Similarity NPC471939
0.8862 High Similarity NPC471940
0.864 High Similarity NPC270109
0.8525 High Similarity NPC329008
0.8525 High Similarity NPC317635
0.8492 Intermediate Similarity NPC236999
0.848 Intermediate Similarity NPC222307
0.8468 Intermediate Similarity NPC472399
0.8387 Intermediate Similarity NPC19464
0.8387 Intermediate Similarity NPC257017
0.8387 Intermediate Similarity NPC162009
0.8306 Intermediate Similarity NPC52839
0.8306 Intermediate Similarity NPC472401
0.8306 Intermediate Similarity NPC477046
0.8306 Intermediate Similarity NPC102822
0.8268 Intermediate Similarity NPC298841
0.8226 Intermediate Similarity NPC157252
0.8226 Intermediate Similarity NPC471126
0.8226 Intermediate Similarity NPC145182
0.8226 Intermediate Similarity NPC471128
0.8189 Intermediate Similarity NPC225049
0.8145 Intermediate Similarity NPC5991
0.8145 Intermediate Similarity NPC5989
0.8145 Intermediate Similarity NPC471108
0.8145 Intermediate Similarity NPC22628
0.8145 Intermediate Similarity NPC255081
0.8145 Intermediate Similarity NPC275696
0.8125 Intermediate Similarity NPC42399
0.811 Intermediate Similarity NPC145238
0.811 Intermediate Similarity NPC470922
0.808 Intermediate Similarity NPC112038
0.808 Intermediate Similarity NPC472004
0.8077 Intermediate Similarity NPC476852
0.8067 Intermediate Similarity NPC29827
0.8065 Intermediate Similarity NPC472758
0.8065 Intermediate Similarity NPC146280
0.8065 Intermediate Similarity NPC204552
0.8065 Intermediate Similarity NPC124676
0.8065 Intermediate Similarity NPC471125
0.8065 Intermediate Similarity NPC188667
0.8065 Intermediate Similarity NPC171905
0.8065 Intermediate Similarity NPC472397
0.8033 Intermediate Similarity NPC477126
0.8031 Intermediate Similarity NPC469352
0.803 Intermediate Similarity NPC471234
0.8015 Intermediate Similarity NPC471855
0.8 Intermediate Similarity NPC476529
0.8 Intermediate Similarity NPC476107
0.8 Intermediate Similarity NPC475371
0.8 Intermediate Similarity NPC469488
0.8 Intermediate Similarity NPC475775
0.8 Intermediate Similarity NPC476851
0.7985 Intermediate Similarity NPC596
0.7984 Intermediate Similarity NPC470854
0.7984 Intermediate Similarity NPC97908
0.7984 Intermediate Similarity NPC122033
0.7984 Intermediate Similarity NPC287343
0.7984 Intermediate Similarity NPC10721
0.7984 Intermediate Similarity NPC156252
0.7984 Intermediate Similarity NPC470780
0.7984 Intermediate Similarity NPC474654
0.7969 Intermediate Similarity NPC24651
0.7939 Intermediate Similarity NPC476855
0.7937 Intermediate Similarity NPC107338
0.7937 Intermediate Similarity NPC109607
0.7937 Intermediate Similarity NPC143755
0.7923 Intermediate Similarity NPC476859
0.7923 Intermediate Similarity NPC473620
0.792 Intermediate Similarity NPC297179
0.791 Intermediate Similarity NPC471089
0.791 Intermediate Similarity NPC190065
0.791 Intermediate Similarity NPC141215
0.7907 Intermediate Similarity NPC473635
0.7903 Intermediate Similarity NPC234858
0.7903 Intermediate Similarity NPC471127
0.7903 Intermediate Similarity NPC154363
0.7899 Intermediate Similarity NPC471172
0.7891 Intermediate Similarity NPC49297
0.7891 Intermediate Similarity NPC471392
0.7891 Intermediate Similarity NPC91693
0.7891 Intermediate Similarity NPC67251
0.7891 Intermediate Similarity NPC265557
0.7891 Intermediate Similarity NPC18945
0.7891 Intermediate Similarity NPC105926
0.7886 Intermediate Similarity NPC474937
0.7886 Intermediate Similarity NPC477091
0.7879 Intermediate Similarity NPC6274
0.7879 Intermediate Similarity NPC33378
0.7879 Intermediate Similarity NPC472769
0.7879 Intermediate Similarity NPC254614
0.7879 Intermediate Similarity NPC100390
0.7879 Intermediate Similarity NPC254146
0.7874 Intermediate Similarity NPC310511
0.7874 Intermediate Similarity NPC470779
0.7863 Intermediate Similarity NPC476854
0.7863 Intermediate Similarity NPC471407
0.7863 Intermediate Similarity NPC470851
0.7863 Intermediate Similarity NPC231529
0.7862 Intermediate Similarity NPC146310
0.7857 Intermediate Similarity NPC19028
0.7857 Intermediate Similarity NPC9674
0.7857 Intermediate Similarity NPC472667
0.7857 Intermediate Similarity NPC470186
0.7852 Intermediate Similarity NPC140045
0.7852 Intermediate Similarity NPC295885
0.7846 Intermediate Similarity NPC287423
0.7846 Intermediate Similarity NPC305496
0.7842 Intermediate Similarity NPC48813
0.7842 Intermediate Similarity NPC194854
0.784 Intermediate Similarity NPC27999
0.784 Intermediate Similarity NPC477116
0.7836 Intermediate Similarity NPC262813
0.7833 Intermediate Similarity NPC474716
0.7829 Intermediate Similarity NPC86346
0.7829 Intermediate Similarity NPC469379
0.7829 Intermediate Similarity NPC75856
0.7829 Intermediate Similarity NPC476729
0.7823 Intermediate Similarity NPC472400
0.7823 Intermediate Similarity NPC181924
0.7823 Intermediate Similarity NPC474872
0.782 Intermediate Similarity NPC475487
0.782 Intermediate Similarity NPC88668
0.782 Intermediate Similarity NPC478151
0.782 Intermediate Similarity NPC168879
0.7812 Intermediate Similarity NPC312833
0.7812 Intermediate Similarity NPC222688
0.7805 Intermediate Similarity NPC170212
0.7805 Intermediate Similarity NPC221511
0.7805 Intermediate Similarity NPC17138
0.7805 Intermediate Similarity NPC101825
0.7805 Intermediate Similarity NPC215643
0.7805 Intermediate Similarity NPC151216
0.7805 Intermediate Similarity NPC475391
0.7805 Intermediate Similarity NPC471933
0.7805 Intermediate Similarity NPC89227
0.7805 Intermediate Similarity NPC265499
0.7803 Intermediate Similarity NPC476863
0.7803 Intermediate Similarity NPC476862
0.7803 Intermediate Similarity NPC471170
0.7795 Intermediate Similarity NPC48692
0.7795 Intermediate Similarity NPC19336
0.7795 Intermediate Similarity NPC472759
0.7795 Intermediate Similarity NPC329080
0.7795 Intermediate Similarity NPC241192
0.7795 Intermediate Similarity NPC185876
0.7795 Intermediate Similarity NPC475885
0.7794 Intermediate Similarity NPC290746
0.7794 Intermediate Similarity NPC79250
0.7786 Intermediate Similarity NPC188291
0.7786 Intermediate Similarity NPC475462
0.7786 Intermediate Similarity NPC311534
0.7786 Intermediate Similarity NPC470850
0.7786 Intermediate Similarity NPC16729
0.7778 Intermediate Similarity NPC17772
0.7778 Intermediate Similarity NPC251998
0.7778 Intermediate Similarity NPC251310
0.7769 Intermediate Similarity NPC47113
0.7769 Intermediate Similarity NPC293112
0.7769 Intermediate Similarity NPC174367
0.7761 Intermediate Similarity NPC476823
0.776 Intermediate Similarity NPC235539
0.776 Intermediate Similarity NPC471816
0.776 Intermediate Similarity NPC207217
0.776 Intermediate Similarity NPC40632
0.776 Intermediate Similarity NPC152199
0.776 Intermediate Similarity NPC270478
0.776 Intermediate Similarity NPC251236
0.776 Intermediate Similarity NPC477509
0.776 Intermediate Similarity NPC302471
0.776 Intermediate Similarity NPC96312
0.776 Intermediate Similarity NPC328374
0.776 Intermediate Similarity NPC134869

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475273 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
0.7795 Intermediate Similarity NPD6054 Approved
0.7686 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD6370 Approved
0.7656 Intermediate Similarity NPD6059 Approved
0.7597 Intermediate Similarity NPD6015 Approved
0.7597 Intermediate Similarity NPD6016 Approved
0.7594 Intermediate Similarity NPD7319 Approved
0.7557 Intermediate Similarity NPD7492 Approved
0.7538 Intermediate Similarity NPD5988 Approved
0.7519 Intermediate Similarity NPD7736 Approved
0.75 Intermediate Similarity NPD6616 Approved
0.748 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD8293 Discontinued
0.7444 Intermediate Similarity NPD7078 Approved
0.7368 Intermediate Similarity NPD7507 Approved
0.7348 Intermediate Similarity NPD8328 Phase 3
0.7252 Intermediate Similarity NPD6319 Approved
0.7222 Intermediate Similarity NPD6371 Approved
0.7197 Intermediate Similarity NPD8513 Phase 3
0.7197 Intermediate Similarity NPD8516 Approved
0.7197 Intermediate Similarity NPD8517 Approved
0.7197 Intermediate Similarity NPD8515 Approved
0.7176 Intermediate Similarity NPD7516 Approved
0.7154 Intermediate Similarity NPD7115 Discovery
0.7132 Intermediate Similarity NPD6033 Approved
0.7109 Intermediate Similarity NPD8297 Approved
0.7109 Intermediate Similarity NPD6882 Approved
0.7099 Intermediate Similarity NPD7327 Approved
0.7099 Intermediate Similarity NPD7328 Approved
0.7063 Intermediate Similarity NPD6686 Approved
0.7023 Intermediate Similarity NPD6009 Approved
0.7023 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5344 Discontinued
0.6953 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6953 Remote Similarity NPD4634 Approved
0.694 Remote Similarity NPD8033 Approved
0.694 Remote Similarity NPD8335 Approved
0.694 Remote Similarity NPD8379 Approved
0.694 Remote Similarity NPD8378 Approved
0.694 Remote Similarity NPD6921 Approved
0.694 Remote Similarity NPD8296 Approved
0.694 Remote Similarity NPD8380 Approved
0.6934 Remote Similarity NPD8074 Phase 3
0.6923 Remote Similarity NPD4632 Approved
0.6905 Remote Similarity NPD6008 Approved
0.6899 Remote Similarity NPD6649 Approved
0.6899 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6899 Remote Similarity NPD6650 Approved
0.6875 Remote Similarity NPD6372 Approved
0.6875 Remote Similarity NPD6373 Approved
0.6866 Remote Similarity NPD8294 Approved
0.6866 Remote Similarity NPD8377 Approved
0.686 Remote Similarity NPD1698 Clinical (unspecified phase)
0.685 Remote Similarity NPD6412 Phase 2
0.6829 Remote Similarity NPD4225 Approved
0.6807 Remote Similarity NPD46 Approved
0.6807 Remote Similarity NPD6698 Approved
0.6797 Remote Similarity NPD6899 Approved
0.6797 Remote Similarity NPD7320 Approved
0.6797 Remote Similarity NPD6881 Approved
0.6794 Remote Similarity NPD8133 Approved
0.6777 Remote Similarity NPD5282 Discontinued
0.6772 Remote Similarity NPD7128 Approved
0.6772 Remote Similarity NPD5739 Approved
0.6772 Remote Similarity NPD6675 Approved
0.6772 Remote Similarity NPD6402 Approved
0.6769 Remote Similarity NPD8130 Phase 1
0.6744 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6736 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6723 Remote Similarity NPD1695 Approved
0.6719 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6719 Remote Similarity NPD5697 Approved
0.6718 Remote Similarity NPD6053 Discontinued
0.6715 Remote Similarity NPD7604 Phase 2
0.6692 Remote Similarity NPD7102 Approved
0.6692 Remote Similarity NPD6883 Approved
0.6692 Remote Similarity NPD7290 Approved
0.6667 Remote Similarity NPD5211 Phase 2
0.6641 Remote Similarity NPD6869 Approved
0.6641 Remote Similarity NPD6617 Approved
0.6641 Remote Similarity NPD6847 Approved
0.664 Remote Similarity NPD4696 Approved
0.664 Remote Similarity NPD6648 Approved
0.664 Remote Similarity NPD5286 Approved
0.664 Remote Similarity NPD5285 Approved
0.6615 Remote Similarity NPD6014 Approved
0.6615 Remote Similarity NPD6013 Approved
0.6615 Remote Similarity NPD6012 Approved
0.6613 Remote Similarity NPD4755 Approved
0.6589 Remote Similarity NPD5701 Approved
0.6573 Remote Similarity NPD8338 Approved
0.6569 Remote Similarity NPD7503 Approved
0.6569 Remote Similarity NPD5983 Phase 2
0.6562 Remote Similarity NPD5141 Approved
0.656 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6549 Remote Similarity NPD5956 Approved
0.6538 Remote Similarity NPD6011 Approved
0.6535 Remote Similarity NPD5224 Approved
0.6535 Remote Similarity NPD5225 Approved
0.6535 Remote Similarity NPD5226 Approved
0.6535 Remote Similarity NPD4633 Approved
0.6508 Remote Similarity NPD4700 Approved
0.65 Remote Similarity NPD6336 Discontinued
0.6484 Remote Similarity NPD5175 Approved
0.6484 Remote Similarity NPD5174 Approved
0.6475 Remote Similarity NPD7830 Approved
0.6475 Remote Similarity NPD7829 Approved
0.6475 Remote Similarity NPD7642 Approved
0.6457 Remote Similarity NPD5223 Approved
0.6457 Remote Similarity NPD1700 Approved
0.6433 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7638 Approved
0.6412 Remote Similarity NPD4729 Approved
0.6412 Remote Similarity NPD4730 Approved
0.6393 Remote Similarity NPD7838 Discovery
0.6391 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6385 Remote Similarity NPD4768 Approved
0.6385 Remote Similarity NPD4767 Approved
0.6378 Remote Similarity NPD7640 Approved
0.6378 Remote Similarity NPD7639 Approved
0.6357 Remote Similarity NPD6067 Discontinued
0.6341 Remote Similarity NPD7983 Approved
0.6331 Remote Similarity NPD8269 Approved
0.6331 Remote Similarity NPD8268 Approved
0.6331 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6331 Remote Similarity NPD8266 Approved
0.6331 Remote Similarity NPD8267 Approved
0.6324 Remote Similarity NPD6274 Approved
0.6316 Remote Similarity NPD5248 Approved
0.6316 Remote Similarity NPD5250 Approved
0.6316 Remote Similarity NPD5247 Approved
0.6316 Remote Similarity NPD5249 Phase 3
0.6316 Remote Similarity NPD5251 Approved
0.6308 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7101 Approved
0.6304 Remote Similarity NPD7100 Approved
0.6294 Remote Similarity NPD8336 Approved
0.6294 Remote Similarity NPD8337 Approved
0.6288 Remote Similarity NPD5128 Approved
0.6286 Remote Similarity NPD8080 Discontinued
0.6276 Remote Similarity NPD7260 Phase 2
0.627 Remote Similarity NPD4697 Phase 3
0.627 Remote Similarity NPD5222 Approved
0.627 Remote Similarity NPD5221 Approved
0.627 Remote Similarity NPD5220 Clinical (unspecified phase)
0.625 Remote Similarity NPD7799 Discontinued
0.625 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6233 Remote Similarity NPD6845 Suspended
0.6232 Remote Similarity NPD6335 Approved
0.6231 Remote Similarity NPD4754 Approved
0.622 Remote Similarity NPD6083 Phase 2
0.622 Remote Similarity NPD6084 Phase 2
0.622 Remote Similarity NPD5173 Approved
0.6216 Remote Similarity NPD8387 Clinical (unspecified phase)
0.621 Remote Similarity NPD6079 Approved
0.6185 Remote Similarity NPD8407 Phase 2
0.6179 Remote Similarity NPD5328 Approved
0.616 Remote Similarity NPD5779 Approved
0.616 Remote Similarity NPD5778 Approved
0.6159 Remote Similarity NPD6317 Approved
0.6154 Remote Similarity NPD8451 Approved
0.6149 Remote Similarity NPD8415 Approved
0.6148 Remote Similarity NPD5215 Approved
0.6148 Remote Similarity NPD5216 Approved
0.6148 Remote Similarity NPD5217 Approved
0.6129 Remote Similarity NPD3168 Discontinued
0.6115 Remote Similarity NPD6314 Approved
0.6115 Remote Similarity NPD6313 Approved
0.6111 Remote Similarity NPD8448 Approved
0.6105 Remote Similarity NPD8368 Discontinued
0.6099 Remote Similarity NPD6909 Approved
0.6099 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6099 Remote Similarity NPD6908 Approved
0.6094 Remote Similarity NPD7902 Approved
0.6074 Remote Similarity NPD5169 Approved
0.6074 Remote Similarity NPD5135 Approved
0.6074 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6063 Remote Similarity NPD4629 Approved
0.6063 Remote Similarity NPD5210 Approved
0.6063 Remote Similarity NPD5695 Phase 3
0.6063 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6048 Remote Similarity NPD4753 Phase 2
0.6048 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6048 Remote Similarity NPD6101 Approved
0.6047 Remote Similarity NPD5696 Approved
0.6032 Remote Similarity NPD6399 Phase 3
0.6032 Remote Similarity NPD4202 Approved
0.6029 Remote Similarity NPD5127 Approved
0.6016 Remote Similarity NPD7839 Suspended
0.6 Remote Similarity NPD7641 Discontinued
0.5986 Remote Similarity NPD8392 Approved
0.5986 Remote Similarity NPD8391 Approved
0.5986 Remote Similarity NPD8390 Approved
0.5986 Remote Similarity NPD8444 Approved
0.5984 Remote Similarity NPD7748 Approved
0.5972 Remote Similarity NPD8341 Approved
0.5972 Remote Similarity NPD8340 Approved
0.5972 Remote Similarity NPD8299 Approved
0.5972 Remote Similarity NPD8342 Approved

Structure

External Identifiers

PubChem CID   44559843
ChEMBL   CHEMBL502490
ZINC  

Physicochemical Properties

Molecular Weight:  616.40
ALogP:  -4.8081
MLogP:  4.54
XLogP:  7.427
# Rotatable Bonds:  23
Polar Surface Area:  117.98
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  44

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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