Natural Product: NPC476091

Natural Product ID:  NPC476091
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C36H54O9
Standard InCHIKey:  MWTHSQSNLZBUIN-DPEISZEJSA-N
Standard InCHI:  InChI=1S/C36H54O9/c1-21(2)32-19-22(3)36-25-28(32)43-34(44-32,45-36)18-16-14-12-10-8-6-7-9-11-13-15-17-31(5,40)24-23(4)27(38)35(41,26(24)36)30(39)33(20-37)29(25)42-33/h16,18,22-26,28-30,37,39-41H,1,6-15,17,19-20H2,2-5H3/b18-16+/t22-,23+,24+,25-,26-,28-,29+,30-,31?,32+,33+,34-,35-,36-/m1/s1
Canonical SMILES:  OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@@]45O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)[C@H]([C@@H]1C(C)(O)CCCCCCCCCCC/C=C/5)C)[C@@H](C[C@]3(O4)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 = 6 /nmol 10.6019/CHEMBL1201861
NPT32 Organism Mus musculus Mus musculus Activity = 0.016 nmol 18183025

  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 NPC476091 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 NPC476078
0.9832 High Similarity NPC475389
0.9832 High Similarity NPC473838
0.9421 High Similarity NPC162495
0.9402 High Similarity NPC142882
0.9268 High Similarity NPC473485
0.9268 High Similarity NPC475139
0.9268 High Similarity NPC180902
0.9268 High Similarity NPC474508
0.9256 High Similarity NPC168849
0.9256 High Similarity NPC475273
0.9187 High Similarity NPC475606
0.9187 High Similarity NPC251564
0.9187 High Similarity NPC475314
0.9187 High Similarity NPC477189
0.9174 High Similarity NPC217901
0.912 High Similarity NPC475154
0.912 High Similarity NPC473548
0.912 High Similarity NPC182266
0.912 High Similarity NPC471136
0.912 High Similarity NPC100017
0.912 High Similarity NPC475500
0.912 High Similarity NPC471137
0.912 High Similarity NPC223356
0.8976 High Similarity NPC68282
0.8699 High Similarity NPC473802
0.8629 High Similarity NPC473919
0.8629 High Similarity NPC473709
0.856 High Similarity NPC471939
0.8492 Intermediate Similarity NPC471940
0.8455 Intermediate Similarity NPC317635
0.8455 Intermediate Similarity NPC329008
0.8306 Intermediate Similarity NPC472004
0.8244 Intermediate Similarity NPC471234
0.8231 Intermediate Similarity NPC471855
0.8168 Intermediate Similarity NPC475487
0.816 Intermediate Similarity NPC143755
0.814 Intermediate Similarity NPC270109
0.814 Intermediate Similarity NPC236999
0.8102 Intermediate Similarity NPC471172
0.808 Intermediate Similarity NPC9674
0.808 Intermediate Similarity NPC470186
0.808 Intermediate Similarity NPC19028
0.808 Intermediate Similarity NPC472667
0.8077 Intermediate Similarity NPC470851
0.8077 Intermediate Similarity NPC471407
0.8077 Intermediate Similarity NPC475371
0.8077 Intermediate Similarity NPC231529
0.8062 Intermediate Similarity NPC470780
0.8062 Intermediate Similarity NPC287423
0.8062 Intermediate Similarity NPC42399
0.8043 Intermediate Similarity NPC194854
0.8043 Intermediate Similarity NPC48813
0.8033 Intermediate Similarity NPC471933
0.8031 Intermediate Similarity NPC162009
0.8031 Intermediate Similarity NPC257017
0.8031 Intermediate Similarity NPC222688
0.803 Intermediate Similarity NPC88668
0.8015 Intermediate Similarity NPC471170
0.8 Intermediate Similarity NPC470850
0.8 Intermediate Similarity NPC473620
0.8 Intermediate Similarity NPC79250
0.8 Intermediate Similarity NPC311534
0.8 Intermediate Similarity NPC290746
0.7986 Intermediate Similarity NPC475462
0.7986 Intermediate Similarity NPC16729
0.7984 Intermediate Similarity NPC473635
0.7984 Intermediate Similarity NPC222307
0.7984 Intermediate Similarity NPC225049
0.7969 Intermediate Similarity NPC43252
0.7969 Intermediate Similarity NPC472399
0.7969 Intermediate Similarity NPC471392
0.7969 Intermediate Similarity NPC135038
0.7956 Intermediate Similarity NPC5153
0.7956 Intermediate Similarity NPC48414
0.7955 Intermediate Similarity NPC472769
0.7953 Intermediate Similarity NPC310511
0.7953 Intermediate Similarity NPC477046
0.7953 Intermediate Similarity NPC102822
0.7945 Intermediate Similarity NPC154675
0.7939 Intermediate Similarity NPC175186
0.7939 Intermediate Similarity NPC104382
0.7939 Intermediate Similarity NPC470880
0.7923 Intermediate Similarity NPC146456
0.7923 Intermediate Similarity NPC469757
0.7923 Intermediate Similarity NPC470882
0.7923 Intermediate Similarity NPC305496
0.7923 Intermediate Similarity NPC298841
0.7923 Intermediate Similarity NPC473253
0.7923 Intermediate Similarity NPC471357
0.7923 Intermediate Similarity NPC117702
0.7903 Intermediate Similarity NPC178289
0.7891 Intermediate Similarity NPC65858
0.7891 Intermediate Similarity NPC19464
0.7891 Intermediate Similarity NPC28532
0.7879 Intermediate Similarity NPC173347
0.7874 Intermediate Similarity NPC4548
0.7874 Intermediate Similarity NPC471406
0.7869 Intermediate Similarity NPC46407
0.7852 Intermediate Similarity NPC59288
0.7846 Intermediate Similarity NPC174367
0.7846 Intermediate Similarity NPC47113
0.7846 Intermediate Similarity NPC293112
0.7846 Intermediate Similarity NPC181999
0.784 Intermediate Similarity NPC138372
0.784 Intermediate Similarity NPC106228
0.7829 Intermediate Similarity NPC267822
0.7829 Intermediate Similarity NPC472078
0.7829 Intermediate Similarity NPC11895
0.7829 Intermediate Similarity NPC469352
0.7829 Intermediate Similarity NPC472077
0.7829 Intermediate Similarity NPC41129
0.782 Intermediate Similarity NPC473519
0.782 Intermediate Similarity NPC473805
0.782 Intermediate Similarity NPC231240
0.782 Intermediate Similarity NPC470185
0.7812 Intermediate Similarity NPC472000
0.7812 Intermediate Similarity NPC52839
0.7812 Intermediate Similarity NPC471999
0.7812 Intermediate Similarity NPC472401
0.7803 Intermediate Similarity NPC70542
0.7803 Intermediate Similarity NPC89514
0.7803 Intermediate Similarity NPC17896
0.7803 Intermediate Similarity NPC180079
0.7803 Intermediate Similarity NPC476851
0.7803 Intermediate Similarity NPC469751
0.7803 Intermediate Similarity NPC197707
0.7803 Intermediate Similarity NPC9499
0.7803 Intermediate Similarity NPC251866
0.7803 Intermediate Similarity NPC471358
0.7803 Intermediate Similarity NPC86159
0.7803 Intermediate Similarity NPC469755
0.7803 Intermediate Similarity NPC6108
0.7803 Intermediate Similarity NPC469752
0.7803 Intermediate Similarity NPC471361
0.7803 Intermediate Similarity NPC471360
0.7803 Intermediate Similarity NPC284406
0.7803 Intermediate Similarity NPC472770
0.7803 Intermediate Similarity NPC476966
0.7803 Intermediate Similarity NPC471352
0.7803 Intermediate Similarity NPC471359
0.7803 Intermediate Similarity NPC10823
0.7803 Intermediate Similarity NPC469753
0.7803 Intermediate Similarity NPC469754
0.7803 Intermediate Similarity NPC473593
0.7803 Intermediate Similarity NPC219085
0.7795 Intermediate Similarity NPC477071
0.7795 Intermediate Similarity NPC312536
0.7786 Intermediate Similarity NPC473265
0.7778 Intermediate Similarity NPC176513
0.7778 Intermediate Similarity NPC476712
0.7778 Intermediate Similarity NPC296822
0.7778 Intermediate Similarity NPC256618
0.7778 Intermediate Similarity NPC476713
0.7778 Intermediate Similarity NPC219058
0.7778 Intermediate Similarity NPC470775
0.7778 Intermediate Similarity NPC473590
0.7778 Intermediate Similarity NPC171619
0.777 Intermediate Similarity NPC471171
0.7769 Intermediate Similarity NPC473255
0.7769 Intermediate Similarity NPC8369
0.7769 Intermediate Similarity NPC241456
0.7769 Intermediate Similarity NPC469790
0.7769 Intermediate Similarity NPC470922
0.7769 Intermediate Similarity NPC145238
0.7769 Intermediate Similarity NPC32868
0.7769 Intermediate Similarity NPC81736
0.7769 Intermediate Similarity NPC172154
0.7769 Intermediate Similarity NPC169818
0.7761 Intermediate Similarity NPC316915
0.7761 Intermediate Similarity NPC247190
0.7761 Intermediate Similarity NPC102015
0.7761 Intermediate Similarity NPC469749
0.7761 Intermediate Similarity NPC32793
0.7761 Intermediate Similarity NPC146857
0.7761 Intermediate Similarity NPC116075
0.776 Intermediate Similarity NPC238667
0.776 Intermediate Similarity NPC73314
0.7752 Intermediate Similarity NPC269642
0.7752 Intermediate Similarity NPC170538
0.7744 Intermediate Similarity NPC476852
0.7744 Intermediate Similarity NPC213634
0.7744 Intermediate Similarity NPC241935
0.7744 Intermediate Similarity NPC279478
0.7742 Intermediate Similarity NPC280782
0.7742 Intermediate Similarity NPC473877
0.7734 Intermediate Similarity NPC472076
0.7734 Intermediate Similarity NPC472075
0.7734 Intermediate Similarity NPC112038
0.7734 Intermediate Similarity NPC471126
0.7734 Intermediate Similarity NPC157252
0.7734 Intermediate Similarity NPC475003
0.7734 Intermediate Similarity NPC471128
0.7734 Intermediate Similarity NPC145182
0.7734 Intermediate Similarity NPC251226
0.7727 Intermediate Similarity NPC114306
0.7727 Intermediate Similarity NPC245094
0.7727 Intermediate Similarity NPC477490
0.7727 Intermediate Similarity NPC188291
0.7724 Intermediate Similarity NPC475563

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476091 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
0.7874 Intermediate Similarity NPD6054 Approved
0.7803 Intermediate Similarity NPD7319 Approved
0.7752 Intermediate Similarity NPD6370 Approved
0.7734 Intermediate Similarity NPD6059 Approved
0.7674 Intermediate Similarity NPD6016 Approved
0.7674 Intermediate Similarity NPD6015 Approved
0.7634 Intermediate Similarity NPD7492 Approved
0.7615 Intermediate Similarity NPD5988 Approved
0.7594 Intermediate Similarity NPD7736 Approved
0.7576 Intermediate Similarity NPD7507 Approved
0.7576 Intermediate Similarity NPD6616 Approved
0.7561 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD8293 Discontinued
0.7519 Intermediate Similarity NPD7078 Approved
0.748 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD8515 Approved
0.7405 Intermediate Similarity NPD8517 Approved
0.7405 Intermediate Similarity NPD8516 Approved
0.7405 Intermediate Similarity NPD8513 Phase 3
0.7385 Intermediate Similarity NPD7516 Approved
0.7328 Intermediate Similarity NPD6319 Approved
0.7308 Intermediate Similarity NPD7327 Approved
0.7308 Intermediate Similarity NPD7328 Approved
0.7231 Intermediate Similarity NPD7115 Discovery
0.7206 Intermediate Similarity NPD6033 Approved
0.7188 Intermediate Similarity NPD8297 Approved
0.7188 Intermediate Similarity NPD6882 Approved
0.7143 Intermediate Similarity NPD8335 Approved
0.7143 Intermediate Similarity NPD8379 Approved
0.7143 Intermediate Similarity NPD8380 Approved
0.7143 Intermediate Similarity NPD8296 Approved
0.7143 Intermediate Similarity NPD8378 Approved
0.7143 Intermediate Similarity NPD8033 Approved
0.7132 Intermediate Similarity NPD8074 Phase 3
0.7109 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD6009 Approved
0.7068 Intermediate Similarity NPD8294 Approved
0.7068 Intermediate Similarity NPD8377 Approved
0.7037 Intermediate Similarity NPD8328 Phase 3
0.7031 Intermediate Similarity NPD4634 Approved
0.7015 Intermediate Similarity NPD6921 Approved
0.7 Intermediate Similarity NPD4632 Approved
0.6984 Remote Similarity NPD6008 Approved
0.6977 Remote Similarity NPD6649 Approved
0.6977 Remote Similarity NPD6650 Approved
0.697 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6953 Remote Similarity NPD6373 Approved
0.6953 Remote Similarity NPD6372 Approved
0.6929 Remote Similarity NPD6412 Phase 2
0.6923 Remote Similarity NPD6053 Discontinued
0.6899 Remote Similarity NPD6371 Approved
0.6875 Remote Similarity NPD7320 Approved
0.6875 Remote Similarity NPD6899 Approved
0.6875 Remote Similarity NPD6881 Approved
0.687 Remote Similarity NPD8133 Approved
0.685 Remote Similarity NPD7128 Approved
0.685 Remote Similarity NPD6402 Approved
0.685 Remote Similarity NPD6675 Approved
0.685 Remote Similarity NPD5739 Approved
0.6846 Remote Similarity NPD8130 Phase 1
0.6822 Remote Similarity NPD4061 Clinical (unspecified phase)
0.68 Remote Similarity NPD1700 Approved
0.68 Remote Similarity NPD5344 Discontinued
0.6797 Remote Similarity NPD5697 Approved
0.6788 Remote Similarity NPD7604 Phase 2
0.6769 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6769 Remote Similarity NPD7290 Approved
0.6769 Remote Similarity NPD7102 Approved
0.6769 Remote Similarity NPD6883 Approved
0.6765 Remote Similarity NPD7503 Approved
0.6746 Remote Similarity NPD5211 Phase 2
0.6744 Remote Similarity NPD6686 Approved
0.672 Remote Similarity NPD4696 Approved
0.672 Remote Similarity NPD5285 Approved
0.672 Remote Similarity NPD5286 Approved
0.6718 Remote Similarity NPD6869 Approved
0.6718 Remote Similarity NPD6617 Approved
0.6718 Remote Similarity NPD6847 Approved
0.6694 Remote Similarity NPD4755 Approved
0.6692 Remote Similarity NPD6013 Approved
0.6692 Remote Similarity NPD6014 Approved
0.6692 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6692 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6642 Remote Similarity NPD5983 Phase 2
0.6641 Remote Similarity NPD5141 Approved
0.6641 Remote Similarity NPD8170 Clinical (unspecified phase)
0.662 Remote Similarity NPD5956 Approved
0.6615 Remote Similarity NPD6011 Approved
0.6614 Remote Similarity NPD5224 Approved
0.6614 Remote Similarity NPD5225 Approved
0.6614 Remote Similarity NPD5226 Approved
0.6614 Remote Similarity NPD4633 Approved
0.6612 Remote Similarity NPD6698 Approved
0.6612 Remote Similarity NPD46 Approved
0.6587 Remote Similarity NPD4700 Approved
0.6575 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6336 Discontinued
0.6562 Remote Similarity NPD5174 Approved
0.6562 Remote Similarity NPD5175 Approved
0.6557 Remote Similarity NPD7983 Approved
0.6538 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5223 Approved
0.6508 Remote Similarity NPD4225 Approved
0.6508 Remote Similarity NPD7638 Approved
0.6489 Remote Similarity NPD4730 Approved
0.6489 Remote Similarity NPD4729 Approved
0.6466 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6462 Remote Similarity NPD4767 Approved
0.6462 Remote Similarity NPD4768 Approved
0.6457 Remote Similarity NPD7640 Approved
0.6457 Remote Similarity NPD7639 Approved
0.6457 Remote Similarity NPD6648 Approved
0.6452 Remote Similarity NPD5282 Discontinued
0.6429 Remote Similarity NPD6067 Discontinued
0.6414 Remote Similarity NPD8338 Approved
0.6407 Remote Similarity NPD7799 Discontinued
0.6403 Remote Similarity NPD6291 Clinical (unspecified phase)
0.64 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6393 Remote Similarity NPD1695 Approved
0.6391 Remote Similarity NPD5251 Approved
0.6391 Remote Similarity NPD5248 Approved
0.6391 Remote Similarity NPD5247 Approved
0.6391 Remote Similarity NPD5250 Approved
0.6391 Remote Similarity NPD5249 Phase 3
0.6378 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6377 Remote Similarity NPD7100 Approved
0.6377 Remote Similarity NPD7101 Approved
0.6371 Remote Similarity NPD5778 Approved
0.6371 Remote Similarity NPD5779 Approved
0.6345 Remote Similarity NPD7260 Phase 2
0.6338 Remote Similarity NPD8451 Approved
0.6327 Remote Similarity NPD8415 Approved
0.6312 Remote Similarity NPD7642 Approved
0.6312 Remote Similarity NPD7830 Approved
0.6312 Remote Similarity NPD7829 Approved
0.6308 Remote Similarity NPD4754 Approved
0.6304 Remote Similarity NPD6335 Approved
0.6299 Remote Similarity NPD6083 Phase 2
0.6299 Remote Similarity NPD6084 Phase 2
0.6294 Remote Similarity NPD8448 Approved
0.6286 Remote Similarity NPD8269 Approved
0.6286 Remote Similarity NPD8267 Approved
0.6286 Remote Similarity NPD8266 Approved
0.6286 Remote Similarity NPD8268 Approved
0.6284 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6281 Remote Similarity NPD5786 Approved
0.6277 Remote Similarity NPD6274 Approved
0.6241 Remote Similarity NPD5128 Approved
0.624 Remote Similarity NPD6399 Phase 3
0.6232 Remote Similarity NPD6317 Approved
0.6222 Remote Similarity NPD5215 Approved
0.6222 Remote Similarity NPD5217 Approved
0.6222 Remote Similarity NPD5216 Approved
0.622 Remote Similarity NPD4697 Phase 3
0.622 Remote Similarity NPD5222 Approved
0.622 Remote Similarity NPD5221 Approved
0.622 Remote Similarity NPD5220 Clinical (unspecified phase)
0.622 Remote Similarity NPD7839 Suspended
0.621 Remote Similarity NPD7838 Discovery
0.6207 Remote Similarity NPD8055 Clinical (unspecified phase)
0.619 Remote Similarity NPD6845 Suspended
0.6187 Remote Similarity NPD6314 Approved
0.6187 Remote Similarity NPD6313 Approved
0.6172 Remote Similarity NPD5173 Approved
0.617 Remote Similarity NPD8444 Approved
0.617 Remote Similarity NPD6908 Approved
0.617 Remote Similarity NPD6909 Approved
0.6164 Remote Similarity NPD8391 Approved
0.6164 Remote Similarity NPD8392 Approved
0.6164 Remote Similarity NPD8390 Approved
0.616 Remote Similarity NPD7637 Suspended
0.616 Remote Similarity NPD6079 Approved
0.6154 Remote Similarity NPD8342 Approved
0.6154 Remote Similarity NPD8341 Approved
0.6154 Remote Similarity NPD8340 Approved
0.6154 Remote Similarity NPD8299 Approved
0.6148 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6148 Remote Similarity NPD5135 Approved
0.6148 Remote Similarity NPD5169 Approved
0.6142 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6142 Remote Similarity NPD5695 Phase 3
0.6142 Remote Similarity NPD5210 Approved
0.6142 Remote Similarity NPD4629 Approved
0.6134 Remote Similarity NPD5369 Approved
0.6129 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6129 Remote Similarity NPD4753 Phase 2
0.6129 Remote Similarity NPD6101 Approved
0.6129 Remote Similarity NPD5328 Approved
0.6124 Remote Similarity NPD5696 Approved
0.6111 Remote Similarity NPD4202 Approved
0.6111 Remote Similarity NPD8273 Phase 1
0.6103 Remote Similarity NPD5127 Approved
0.6098 Remote Similarity NPD4250 Approved
0.6098 Remote Similarity NPD4251 Approved
0.6098 Remote Similarity NPD7524 Approved
0.6083 Remote Similarity NPD4270 Approved
0.6083 Remote Similarity NPD6435 Approved
0.6083 Remote Similarity NPD4269 Approved
0.608 Remote Similarity NPD3168 Discontinued

Structure

External Identifiers

PubChem CID   44559856
ChEMBL   CHEMBL525765
ZINC  

Physicochemical Properties

Molecular Weight:  630.38
ALogP:  -3.3998
MLogP:  4.43
XLogP:  4.884
# Rotatable Bonds:  10
Polar Surface Area:  138.21
# H-Bond Aceptor:  9
# H-Bond Donor:  4
# Rings:  7
# Heavy Atoms:  45

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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