Natural Product: NPC90358

Natural Product ID:  NPC90358
Common Name:   Sapintoxin C
IUPAC Name:  
Synonyms:   Sapintoxin C
Molecular Formula:   C30H37NO7
Standard InCHIKey:  KESIQXYRXFIECZ-UNEHIJSCSA-N
Standard InCHI:  InChI=1S/C30H37NO7/c1-14-12-19-22(23(14)33)24(34)15(2)13-20-25-28(5,6)30(25,38-17(4)32)26(16(3)29(19,20)36)37-27(35)18-10-8-9-11-21(18)31-7/h8-13,16,19-20,22,24-26,31,34,36H,1-7H3/t16-,19-,20+,22+,24-,25-,26-,29+,30-/m1/s1
Canonical SMILES:  CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C(=O)[C@H]3[C@@H](C(=C[C@H]2[C@H]2[C@]1(OC(=O)C)C2(C)C)C)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
NPO25366 Sapium indicum Species Euphorbiaceae Eukaryota Fruits PMID[12713411]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 25 ug/ml 25221657

  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 NPC90358 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 NPC107828
0.9888 High Similarity NPC176371
0.9888 High Similarity NPC136573
0.9831 High Similarity NPC311054
0.9831 High Similarity NPC112752
0.9773 High Similarity NPC198205
0.9773 High Similarity NPC21483
0.9663 High Similarity NPC198390
0.8684 High Similarity NPC475223
0.8639 High Similarity NPC475448
0.8639 High Similarity NPC246983
0.8272 Intermediate Similarity NPC476218
0.8272 Intermediate Similarity NPC108804
0.822 Intermediate Similarity NPC259791
0.822 Intermediate Similarity NPC476257
0.822 Intermediate Similarity NPC476212
0.822 Intermediate Similarity NPC476207
0.822 Intermediate Similarity NPC476256
0.822 Intermediate Similarity NPC476129
0.822 Intermediate Similarity NPC476205
0.822 Intermediate Similarity NPC476206
0.7841 Intermediate Similarity NPC132652
0.7608 Intermediate Similarity NPC473837
0.7541 Intermediate Similarity NPC11410
0.7473 Intermediate Similarity NPC233581
0.7473 Intermediate Similarity NPC469647
0.7473 Intermediate Similarity NPC22571
0.7473 Intermediate Similarity NPC138641
0.7473 Intermediate Similarity NPC145649
0.7473 Intermediate Similarity NPC283875
0.7473 Intermediate Similarity NPC469648
0.7453 Intermediate Similarity NPC223590
0.736 Intermediate Similarity NPC140021
0.7322 Intermediate Similarity NPC472398
0.7263 Intermediate Similarity NPC470971
0.7256 Intermediate Similarity NPC140311
0.725 Intermediate Similarity NPC475336
0.725 Intermediate Similarity NPC317882
0.725 Intermediate Similarity NPC471754
0.725 Intermediate Similarity NPC453583
0.725 Intermediate Similarity NPC473300
0.7241 Intermediate Similarity NPC36607
0.724 Intermediate Similarity NPC475316
0.724 Intermediate Similarity NPC473486
0.7235 Intermediate Similarity NPC473667
0.7215 Intermediate Similarity NPC475601
0.7214 Intermediate Similarity NPC67246
0.7214 Intermediate Similarity NPC33372
0.7204 Intermediate Similarity NPC251139
0.7202 Intermediate Similarity NPC477902
0.7202 Intermediate Similarity NPC475137
0.7202 Intermediate Similarity NPC473850
0.7202 Intermediate Similarity NPC475498
0.72 Intermediate Similarity NPC471623
0.7196 Intermediate Similarity NPC471014
0.7196 Intermediate Similarity NPC475408
0.7196 Intermediate Similarity NPC471016
0.7195 Intermediate Similarity NPC96801
0.7195 Intermediate Similarity NPC150698
0.7195 Intermediate Similarity NPC473781
0.7195 Intermediate Similarity NPC35390
0.7195 Intermediate Similarity NPC470631
0.7189 Intermediate Similarity NPC106593
0.7175 Intermediate Similarity NPC35208
0.7175 Intermediate Similarity NPC475426
0.7167 Intermediate Similarity NPC183540
0.7164 Intermediate Similarity NPC275170
0.7164 Intermediate Similarity NPC324251
0.7164 Intermediate Similarity NPC471629
0.7164 Intermediate Similarity NPC206211
0.7164 Intermediate Similarity NPC473400
0.7164 Intermediate Similarity NPC306001
0.7162 Intermediate Similarity NPC469748
0.7159 Intermediate Similarity NPC173295
0.7156 Intermediate Similarity NPC76565
0.7156 Intermediate Similarity NPC57797
0.7156 Intermediate Similarity NPC250807
0.715 Intermediate Similarity NPC470306
0.715 Intermediate Similarity NPC316405
0.7136 Intermediate Similarity NPC211920
0.7136 Intermediate Similarity NPC124029
0.713 Intermediate Similarity NPC84815
0.713 Intermediate Similarity NPC301368
0.713 Intermediate Similarity NPC216428
0.7108 Intermediate Similarity NPC191193
0.7108 Intermediate Similarity NPC242662
0.7108 Intermediate Similarity NPC215892
0.7108 Intermediate Similarity NPC321072
0.7104 Intermediate Similarity NPC471190
0.7104 Intermediate Similarity NPC470486
0.7104 Intermediate Similarity NPC475644
0.7104 Intermediate Similarity NPC475362
0.7104 Intermediate Similarity NPC471977
0.7103 Intermediate Similarity NPC264674
0.7102 Intermediate Similarity NPC253476
0.7088 Intermediate Similarity NPC34943
0.7083 Intermediate Similarity NPC294579
0.7083 Intermediate Similarity NPC144779
0.7083 Intermediate Similarity NPC62367
0.7078 Intermediate Similarity NPC471980
0.7073 Intermediate Similarity NPC181964
0.7073 Intermediate Similarity NPC471606
0.7073 Intermediate Similarity NPC208553
0.707 Intermediate Similarity NPC477907
0.707 Intermediate Similarity NPC477909
0.707 Intermediate Similarity NPC42678
0.7068 Intermediate Similarity NPC253738
0.7065 Intermediate Similarity NPC217918
0.7065 Intermediate Similarity NPC477998
0.7059 Intermediate Similarity NPC475600
0.7059 Intermediate Similarity NPC475631
0.7059 Intermediate Similarity NPC114808
0.7059 Intermediate Similarity NPC228377
0.7059 Intermediate Similarity NPC146824
0.7059 Intermediate Similarity NPC477787
0.7059 Intermediate Similarity NPC122968
0.7059 Intermediate Similarity NPC328186
0.7059 Intermediate Similarity NPC87152
0.7059 Intermediate Similarity NPC476110
0.7056 Intermediate Similarity NPC90614
0.7056 Intermediate Similarity NPC100913
0.7056 Intermediate Similarity NPC275592
0.7049 Intermediate Similarity NPC311825
0.7049 Intermediate Similarity NPC134131
0.7049 Intermediate Similarity NPC25043
0.7049 Intermediate Similarity NPC125882
0.7049 Intermediate Similarity NPC92867
0.7048 Intermediate Similarity NPC253482
0.7043 Intermediate Similarity NPC197037
0.7043 Intermediate Similarity NPC471103
0.7039 Intermediate Similarity NPC473558
0.7037 Intermediate Similarity NPC6981
0.7033 Intermediate Similarity NPC95449
0.7033 Intermediate Similarity NPC477894
0.7032 Intermediate Similarity NPC127026
0.7032 Intermediate Similarity NPC127720
0.7028 Intermediate Similarity NPC48042
0.7028 Intermediate Similarity NPC472550
0.7028 Intermediate Similarity NPC304179
0.7023 Intermediate Similarity NPC4421
0.7017 Intermediate Similarity NPC27377
0.7017 Intermediate Similarity NPC472576
0.7017 Intermediate Similarity NPC87448
0.7017 Intermediate Similarity NPC291599
0.7017 Intermediate Similarity NPC97947
0.7017 Intermediate Similarity NPC41481
0.7017 Intermediate Similarity NPC118080
0.7014 Intermediate Similarity NPC473506
0.7011 Intermediate Similarity NPC240115
0.7011 Intermediate Similarity NPC20255
0.7009 Intermediate Similarity NPC30456
0.7009 Intermediate Similarity NPC472553
0.7 Intermediate Similarity NPC9905
0.6995 Remote Similarity NPC25961
0.6991 Remote Similarity NPC477910
0.6989 Remote Similarity NPC91730
0.6986 Remote Similarity NPC477903
0.6986 Remote Similarity NPC477912
0.6982 Remote Similarity NPC14116
0.6982 Remote Similarity NPC285411
0.6981 Remote Similarity NPC63041
0.698 Remote Similarity NPC327699
0.6978 Remote Similarity NPC237702
0.6978 Remote Similarity NPC192658
0.6977 Remote Similarity NPC217903
0.6977 Remote Similarity NPC321166
0.6971 Remote Similarity NPC472392
0.6971 Remote Similarity NPC472375
0.6968 Remote Similarity NPC134685
0.6968 Remote Similarity NPC248265
0.6968 Remote Similarity NPC328154
0.6968 Remote Similarity NPC11588
0.6968 Remote Similarity NPC229545
0.6964 Remote Similarity NPC477906
0.6964 Remote Similarity NPC292416
0.6964 Remote Similarity NPC473689
0.6964 Remote Similarity NPC316841
0.6964 Remote Similarity NPC475303
0.6964 Remote Similarity NPC475596
0.6961 Remote Similarity NPC171207
0.6961 Remote Similarity NPC472547
0.6961 Remote Similarity NPC162613
0.6961 Remote Similarity NPC87934
0.6961 Remote Similarity NPC97667
0.6959 Remote Similarity NPC30171
0.6957 Remote Similarity NPC473490
0.6957 Remote Similarity NPC127857
0.6957 Remote Similarity NPC475648
0.6955 Remote Similarity NPC477788
0.6952 Remote Similarity NPC51602
0.6952 Remote Similarity NPC470153
0.6951 Remote Similarity NPC134384
0.6951 Remote Similarity NPC311196
0.695 Remote Similarity NPC97584
0.6947 Remote Similarity NPC170751
0.6946 Remote Similarity NPC474059
0.6944 Remote Similarity NPC39549
0.6944 Remote Similarity NPC228331
0.694 Remote Similarity NPC163087
0.6938 Remote Similarity NPC472391

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC90358 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
0.7286 Intermediate Similarity NPD8360 Approved
0.7286 Intermediate Similarity NPD8361 Approved
0.7213 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD2836 Approved
0.72 Intermediate Similarity NPD8435 Approved
0.71 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD8485 Approved
0.7039 Intermediate Similarity NPD4668 Phase 2
0.7021 Intermediate Similarity NPD2672 Discontinued
0.7 Intermediate Similarity NPD8407 Phase 2
0.699 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6978 Remote Similarity NPD1625 Approved
0.6973 Remote Similarity NPD4888 Discontinued
0.6971 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6935 Remote Similarity NPD8368 Discontinued
0.6882 Remote Similarity NPD7528 Approved
0.6863 Remote Similarity NPD5928 Phase 1
0.6842 Remote Similarity NPD6874 Approved
0.6825 Remote Similarity NPD5086 Approved
0.6794 Remote Similarity NPD5196 Approved
0.6794 Remote Similarity NPD5194 Approved
0.6794 Remote Similarity NPD5197 Approved
0.6784 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6779 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5466 Approved
0.6758 Remote Similarity NPD1626 Approved
0.6733 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6733 Remote Similarity NPD7962 Phase 2
0.6718 Remote Similarity NPD5430 Discontinued
0.6715 Remote Similarity NPD5937 Approved
0.6714 Remote Similarity NPD7597 Clinical (unspecified phase)
0.6712 Remote Similarity NPD5433 Clinical (unspecified phase)
0.6649 Remote Similarity NPD1189 Approved
0.6635 Remote Similarity NPD8146 Phase 2
0.6633 Remote Similarity NPD5997 Discontinued
0.6632 Remote Similarity NPD7606 Phase 3
0.6631 Remote Similarity NPD7295 Approved
0.6621 Remote Similarity NPD8462 Phase 1
0.6607 Remote Similarity NPD8155 Clinical (unspecified phase)
0.66 Remote Similarity NPD5919 Clinical (unspecified phase)
0.659 Remote Similarity NPD7302 Phase 3
0.659 Remote Similarity NPD7300 Phase 3
0.6577 Remote Similarity NPD8404 Phase 2
0.6566 Remote Similarity NPD2821 Approved
0.6559 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6557 Remote Similarity NPD3528 Clinical (unspecified phase)
0.654 Remote Similarity NPD5411 Discontinued
0.6537 Remote Similarity NPD7922 Phase 1
0.6535 Remote Similarity NPD5498 Phase 2
0.6526 Remote Similarity NPD5609 Approved
0.6526 Remote Similarity NPD5608 Approved
0.6522 Remote Similarity NPD2670 Approved
0.6514 Remote Similarity NPD4082 Approved
0.6509 Remote Similarity NPD5195 Discontinued
0.65 Remote Similarity NPD1945 Phase 1
0.65 Remote Similarity NPD4493 Discontinued
0.6476 Remote Similarity NPD7570 Approved
0.6476 Remote Similarity NPD7569 Approved
0.6474 Remote Similarity NPD7478 Approved
0.6474 Remote Similarity NPD1802 Approved
0.6474 Remote Similarity NPD1801 Approved
0.6471 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6458 Remote Similarity NPD1230 Approved
0.6455 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6444 Remote Similarity NPD2899 Discontinued
0.6441 Remote Similarity NPD3795 Approved
0.6441 Remote Similarity NPD3794 Approved
0.6418 Remote Similarity NPD1913 Phase 1
0.6413 Remote Similarity NPD4562 Clinical (unspecified phase)
0.6407 Remote Similarity NPD4981 Phase 2
0.6406 Remote Similarity NPD7497 Discontinued
0.6402 Remote Similarity NPD7487 Discontinued
0.6402 Remote Similarity NPD8468 Phase 2
0.6398 Remote Similarity NPD3170 Approved
0.6393 Remote Similarity NPD4596 Phase 1
0.6393 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6392 Remote Similarity NPD6591 Clinical (unspecified phase)
0.638 Remote Similarity NPD3893 Discontinued
0.6377 Remote Similarity NPD7546 Discontinued
0.6359 Remote Similarity NPD956 Clinical (unspecified phase)
0.6349 Remote Similarity NPD7082 Approved
0.6346 Remote Similarity NPD8167 Discontinued
0.6346 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6338 Remote Similarity NPD7256 Discontinued
0.6338 Remote Similarity NPD6535 Approved
0.6338 Remote Similarity NPD6534 Approved
0.6335 Remote Similarity NPD4506 Discontinued
0.6335 Remote Similarity NPD7236 Approved
0.6333 Remote Similarity NPD7693 Approved
0.6329 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6326 Remote Similarity NPD7700 Phase 2
0.6326 Remote Similarity NPD7699 Phase 2
0.6325 Remote Similarity NPD6723 Discontinued
0.6324 Remote Similarity NPD7799 Discontinued
0.6323 Remote Similarity NPD4492 Approved
0.6323 Remote Similarity NPD3888 Discontinued
0.6323 Remote Similarity NPD7301 Phase 3
0.6323 Remote Similarity NPD4494 Approved
0.6316 Remote Similarity NPD2387 Approved
0.6316 Remote Similarity NPD3153 Approved
0.6316 Remote Similarity NPD7259 Approved
0.6316 Remote Similarity NPD3154 Approved
0.6313 Remote Similarity NPD7476 Discontinued
0.6305 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6298 Remote Similarity NPD4412 Phase 2
0.6295 Remote Similarity NPD4455 Discontinued
0.629 Remote Similarity NPD4022 Approved
0.629 Remote Similarity NPD3472 Approved
0.6286 Remote Similarity NPD6793 Clinical (unspecified phase)
0.6286 Remote Similarity NPD8434 Phase 2
0.6286 Remote Similarity NPD8150 Discontinued
0.6283 Remote Similarity NPD3949 Clinical (unspecified phase)
0.628 Remote Similarity NPD3471 Approved
0.628 Remote Similarity NPD7038 Approved
0.628 Remote Similarity NPD7039 Approved
0.628 Remote Similarity NPD3470 Approved
0.6278 Remote Similarity NPD1574 Approved
0.6276 Remote Similarity NPD3684 Discontinued
0.6274 Remote Similarity NPD5042 Phase 1
0.6267 Remote Similarity NPD7930 Approved
0.6263 Remote Similarity NPD2820 Phase 3
0.6262 Remote Similarity NPD2869 Clinical (unspecified phase)
0.6256 Remote Similarity NPD7239 Suspended
0.6256 Remote Similarity NPD7435 Discontinued
0.6256 Remote Similarity NPD5242 Approved
0.6256 Remote Similarity NPD7878 Phase 2
0.6256 Remote Similarity NPD7292 Approved
0.625 Remote Similarity NPD4607 Approved
0.6243 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6239 Remote Similarity NPD8067 Phase 3
0.6237 Remote Similarity NPD4513 Discontinued
0.6233 Remote Similarity NPD3372 Discontinued
0.6231 Remote Similarity NPD7244 Discontinued
0.623 Remote Similarity NPD2575 Approved
0.6228 Remote Similarity NPD5496 Approved
0.6227 Remote Similarity NPD4456 Clinical (unspecified phase)
0.6227 Remote Similarity NPD8320 Phase 1
0.6227 Remote Similarity NPD8319 Approved
0.6226 Remote Similarity NPD4258 Approved
0.6226 Remote Similarity NPD4259 Approved
0.6215 Remote Similarity NPD5610 Approved
0.6211 Remote Similarity NPD2365 Approved
0.6211 Remote Similarity NPD3940 Clinical (unspecified phase)
0.621 Remote Similarity NPD6823 Phase 2
0.6209 Remote Similarity NPD6484 Approved
0.6209 Remote Similarity NPD6891 Phase 2
0.6209 Remote Similarity NPD6483 Approved
0.6207 Remote Similarity NPD7186 Phase 3
0.6207 Remote Similarity NPD1839 Phase 1
0.6204 Remote Similarity NPD3828 Approved
0.62 Remote Similarity NPD1210 Approved
0.6199 Remote Similarity NPD7999 Approved
0.6197 Remote Similarity NPD5504 Discontinued
0.6193 Remote Similarity NPD6779 Approved
0.6193 Remote Similarity NPD6778 Approved
0.6193 Remote Similarity NPD6776 Approved
0.6193 Remote Similarity NPD6782 Approved
0.6193 Remote Similarity NPD6780 Approved
0.6193 Remote Similarity NPD6781 Approved
0.6193 Remote Similarity NPD6777 Approved
0.6193 Remote Similarity NPD6519 Phase 2
0.6186 Remote Similarity NPD4161 Discontinued
0.6185 Remote Similarity NPD7708 Approved
0.6182 Remote Similarity NPD7064 Clinical (unspecified phase)
0.6182 Remote Similarity NPD6176 Phase 1
0.6182 Remote Similarity NPD7697 Approved
0.6182 Remote Similarity NPD7698 Approved
0.6182 Remote Similarity NPD7696 Phase 3
0.6181 Remote Similarity NPD7599 Phase 2
0.6176 Remote Similarity NPD2431 Approved
0.6176 Remote Similarity NPD2432 Approved
0.6171 Remote Similarity NPD7584 Approved
0.6171 Remote Similarity NPD5143 Clinical (unspecified phase)
0.6162 Remote Similarity NPD7105 Phase 1
0.6158 Remote Similarity NPD2037 Approved
0.6154 Remote Similarity NPD7870 Phase 2
0.6154 Remote Similarity NPD6496 Clinical (unspecified phase)
0.6154 Remote Similarity NPD9567 Approved
0.6154 Remote Similarity NPD553 Approved
0.6154 Remote Similarity NPD4330 Approved
0.6154 Remote Similarity NPD7871 Phase 2
0.6154 Remote Similarity NPD552 Approved
0.6154 Remote Similarity NPD3298 Approved
0.6154 Remote Similarity NPD7891 Discontinued
0.6154 Remote Similarity NPD1294 Discontinued
0.6154 Remote Similarity NPD4329 Approved
0.6151 Remote Similarity NPD7803 Approved
0.615 Remote Similarity NPD7600 Phase 2
0.6147 Remote Similarity NPD7565 Approved
0.6146 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6146 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6143 Remote Similarity NPD2509 Approved
0.6143 Remote Similarity NPD2510 Approved
0.6138 Remote Similarity NPD1110 Approved
0.6138 Remote Similarity NPD1109 Approved
0.6135 Remote Similarity NPD3792 Approved
0.6134 Remote Similarity NPD6758 Approved
0.6133 Remote Similarity NPD7801 Approved
0.6132 Remote Similarity NPD4948 Discontinued
0.6132 Remote Similarity NPD3863 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   157367
ChEMBL   CHEMBL505667
ZINC  

Physicochemical Properties

Molecular Weight:  523.26
ALogP:  0.1864
MLogP:  3.88
XLogP:  2.903
# Rotatable Bonds:  15
Polar Surface Area:  122.16
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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