Natural Product: NPC41129

Natural Product ID:  NPC41129
Common Name:   Charantoside Vii
IUPAC Name:  
Synonyms:   charantoside VII
Molecular Formula:   C36H54O8
Standard InCHIKey:  SRCUTJGBMBTKOT-CWBTZBRRSA-N
Standard InCHI:  InChI=1S/C36H54O8/c1-20(2)9-8-10-21(3)22-13-15-34(7)24-14-16-36-25(35(24,31(41)44-36)18-17-33(22,34)6)11-12-26(32(36,4)5)43-30-29(40)28(39)27(38)23(19-37)42-30/h8-9,14,16,21-30,37-40H,1,10-13,15,17-19H2,2-7H3/b9-8+/t21-,22-,23-,24+,25+,26+,27-,28+,29-,30+,33-,34+,35+,36-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3[C@@]4(C2(C)C)C=C[C@@H]2[C@@]3(C(=O)O4)CC[C@]3([C@@]2(C)CC[C@@H]3[C@@H](C/C=C/C(=C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
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
NPO8182 Momordica charantia Species Cucurbitaceae Eukaryota PMID[17685651]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 9.9 % 25442304
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 19729316
NPT2 Others Unspecified Inhibition = 28.1 % 23398362
NPT2 Others Unspecified Inhibition = 100 % 22850213
NPT2 Others Unspecified Inhibition = 75.1 % 8946743

  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 NPC41129 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
0.9474 High Similarity NPC477071
0.9115 High Similarity NPC231797
0.9052 High Similarity NPC45475
0.9027 High Similarity NPC208189
0.9027 High Similarity NPC65034
0.8957 High Similarity NPC220293
0.8938 High Similarity NPC101450
0.8938 High Similarity NPC103627
0.8938 High Similarity NPC191439
0.8938 High Similarity NPC170974
0.8898 High Similarity NPC470312
0.8889 High Similarity NPC473617
0.8889 High Similarity NPC473828
0.886 High Similarity NPC285410
0.886 High Similarity NPC292196
0.886 High Similarity NPC263827
0.886 High Similarity NPC250481
0.885 High Similarity NPC473328
0.885 High Similarity NPC28844
0.885 High Similarity NPC473318
0.878 High Similarity NPC471407
0.878 High Similarity NPC476966
0.8772 High Similarity NPC65155
0.8772 High Similarity NPC129340
0.8684 High Similarity NPC265655
0.8684 High Similarity NPC5475
0.8684 High Similarity NPC472216
0.8684 High Similarity NPC173905
0.8684 High Similarity NPC284828
0.8678 High Similarity NPC27363
0.864 High Similarity NPC231240
0.864 High Similarity NPC471855
0.8632 High Similarity NPC473882
0.8632 High Similarity NPC475163
0.8629 High Similarity NPC473593
0.8629 High Similarity NPC477235
0.8618 High Similarity NPC117702
0.8618 High Similarity NPC146456
0.8618 High Similarity NPC179412
0.8618 High Similarity NPC471357
0.8618 High Similarity NPC240070
0.8618 High Similarity NPC329784
0.8618 High Similarity NPC469757
0.8618 High Similarity NPC471356
0.8609 High Similarity NPC475317
0.8609 High Similarity NPC52241
0.8609 High Similarity NPC154856
0.8609 High Similarity NPC119550
0.8596 High Similarity NPC195708
0.8596 High Similarity NPC258323
0.8596 High Similarity NPC295389
0.8583 High Similarity NPC471406
0.8583 High Similarity NPC473130
0.8571 High Similarity NPC316915
0.8559 High Similarity NPC207637
0.8559 High Similarity NPC244127
0.8548 High Similarity NPC220838
0.8548 High Similarity NPC311534
0.8548 High Similarity NPC473620
0.8548 High Similarity NPC45606
0.8548 High Similarity NPC473888
0.8547 High Similarity NPC73455
0.8547 High Similarity NPC200944
0.8547 High Similarity NPC251309
0.8537 High Similarity NPC250556
0.8537 High Similarity NPC469750
0.8534 High Similarity NPC272242
0.8522 High Similarity NPC477069
0.8522 High Similarity NPC14630
0.8522 High Similarity NPC157530
0.8522 High Similarity NPC250089
0.8522 High Similarity NPC40728
0.8522 High Similarity NPC477070
0.8522 High Similarity NPC316974
0.8509 High Similarity NPC33053
0.8509 High Similarity NPC184512
0.8509 High Similarity NPC293512
0.85 High Similarity NPC122971
0.8496 Intermediate Similarity NPC31430
0.8496 Intermediate Similarity NPC85593
0.8492 Intermediate Similarity NPC155529
0.8492 Intermediate Similarity NPC93416
0.8487 Intermediate Similarity NPC471355
0.8487 Intermediate Similarity NPC471351
0.8487 Intermediate Similarity NPC471353
0.8487 Intermediate Similarity NPC77319
0.8487 Intermediate Similarity NPC474418
0.8487 Intermediate Similarity NPC93883
0.8487 Intermediate Similarity NPC27507
0.8487 Intermediate Similarity NPC99728
0.8487 Intermediate Similarity NPC50305
0.8487 Intermediate Similarity NPC84987
0.8487 Intermediate Similarity NPC157376
0.8487 Intermediate Similarity NPC473852
0.8487 Intermediate Similarity NPC142066
0.8487 Intermediate Similarity NPC309034
0.8487 Intermediate Similarity NPC243196
0.8487 Intermediate Similarity NPC473405
0.8487 Intermediate Similarity NPC203862
0.8487 Intermediate Similarity NPC158344
0.8487 Intermediate Similarity NPC471354
0.8487 Intermediate Similarity NPC244402
0.8487 Intermediate Similarity NPC196429
0.8487 Intermediate Similarity NPC34390
0.8487 Intermediate Similarity NPC87250
0.848 Intermediate Similarity NPC89514
0.848 Intermediate Similarity NPC232785
0.848 Intermediate Similarity NPC17896
0.848 Intermediate Similarity NPC9499
0.848 Intermediate Similarity NPC284406
0.848 Intermediate Similarity NPC125077
0.848 Intermediate Similarity NPC469754
0.848 Intermediate Similarity NPC471360
0.848 Intermediate Similarity NPC276838
0.848 Intermediate Similarity NPC6108
0.848 Intermediate Similarity NPC188234
0.848 Intermediate Similarity NPC469755
0.848 Intermediate Similarity NPC471359
0.848 Intermediate Similarity NPC469751
0.848 Intermediate Similarity NPC219085
0.848 Intermediate Similarity NPC471361
0.848 Intermediate Similarity NPC469753
0.848 Intermediate Similarity NPC471358
0.848 Intermediate Similarity NPC469752
0.848 Intermediate Similarity NPC86159
0.848 Intermediate Similarity NPC197707
0.848 Intermediate Similarity NPC329986
0.848 Intermediate Similarity NPC471352
0.848 Intermediate Similarity NPC10823
0.848 Intermediate Similarity NPC251866
0.848 Intermediate Similarity NPC180079
0.848 Intermediate Similarity NPC140092
0.848 Intermediate Similarity NPC70542
0.8475 Intermediate Similarity NPC116024
0.8468 Intermediate Similarity NPC470780
0.8468 Intermediate Similarity NPC42399
0.8462 Intermediate Similarity NPC210420
0.8462 Intermediate Similarity NPC473567
0.8462 Intermediate Similarity NPC216595
0.8462 Intermediate Similarity NPC46388
0.8462 Intermediate Similarity NPC233003
0.8462 Intermediate Similarity NPC130427
0.8462 Intermediate Similarity NPC37739
0.8462 Intermediate Similarity NPC473125
0.8462 Intermediate Similarity NPC474265
0.8448 Intermediate Similarity NPC476883
0.8448 Intermediate Similarity NPC476882
0.8448 Intermediate Similarity NPC476884
0.8448 Intermediate Similarity NPC476885
0.8448 Intermediate Similarity NPC476886
0.8448 Intermediate Similarity NPC476881
0.8448 Intermediate Similarity NPC476880
0.8448 Intermediate Similarity NPC476887
0.8443 Intermediate Similarity NPC28532
0.8438 Intermediate Similarity NPC158350
0.8435 Intermediate Similarity NPC311223
0.8435 Intermediate Similarity NPC135015
0.8435 Intermediate Similarity NPC48548
0.8435 Intermediate Similarity NPC472219
0.8435 Intermediate Similarity NPC472217
0.8435 Intermediate Similarity NPC128795
0.8435 Intermediate Similarity NPC472218
0.8435 Intermediate Similarity NPC217921
0.843 Intermediate Similarity NPC475629
0.843 Intermediate Similarity NPC475556
0.8425 Intermediate Similarity NPC477709
0.8425 Intermediate Similarity NPC247190
0.8425 Intermediate Similarity NPC32793
0.8425 Intermediate Similarity NPC476221
0.8425 Intermediate Similarity NPC116075
0.8425 Intermediate Similarity NPC146857
0.8425 Intermediate Similarity NPC469749
0.8421 Intermediate Similarity NPC473199
0.8421 Intermediate Similarity NPC252296
0.8421 Intermediate Similarity NPC95243
0.8421 Intermediate Similarity NPC63023
0.8417 Intermediate Similarity NPC291564
0.8417 Intermediate Similarity NPC471548
0.8417 Intermediate Similarity NPC160888
0.8417 Intermediate Similarity NPC475403
0.8417 Intermediate Similarity NPC83287
0.8413 Intermediate Similarity NPC222951
0.8413 Intermediate Similarity NPC43589
0.8413 Intermediate Similarity NPC173347
0.8413 Intermediate Similarity NPC16569
0.8413 Intermediate Similarity NPC311178
0.8413 Intermediate Similarity NPC300655
0.8413 Intermediate Similarity NPC159338
0.8413 Intermediate Similarity NPC253456
0.8407 Intermediate Similarity NPC471887
0.8407 Intermediate Similarity NPC471885
0.8407 Intermediate Similarity NPC471886
0.8407 Intermediate Similarity NPC471450
0.8407 Intermediate Similarity NPC471888
0.8403 Intermediate Similarity NPC193382
0.8403 Intermediate Similarity NPC199428
0.8403 Intermediate Similarity NPC99620
0.8403 Intermediate Similarity NPC5311
0.8403 Intermediate Similarity NPC310341
0.84 Intermediate Similarity NPC245094

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC41129 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
0.8537 High Similarity NPD7507 Approved
0.848 Intermediate Similarity NPD7319 Approved
0.8417 Intermediate Similarity NPD7327 Approved
0.8417 Intermediate Similarity NPD7328 Approved
0.8361 Intermediate Similarity NPD8335 Approved
0.8361 Intermediate Similarity NPD8378 Approved
0.8361 Intermediate Similarity NPD8380 Approved
0.8361 Intermediate Similarity NPD8296 Approved
0.8361 Intermediate Similarity NPD7503 Approved
0.8361 Intermediate Similarity NPD8379 Approved
0.8347 Intermediate Similarity NPD7516 Approved
0.8279 Intermediate Similarity NPD8377 Approved
0.8279 Intermediate Similarity NPD8294 Approved
0.8235 Intermediate Similarity NPD8133 Approved
0.8211 Intermediate Similarity NPD8516 Approved
0.8211 Intermediate Similarity NPD8517 Approved
0.8211 Intermediate Similarity NPD8033 Approved
0.8211 Intermediate Similarity NPD8513 Phase 3
0.8211 Intermediate Similarity NPD8515 Approved
0.812 Intermediate Similarity NPD6686 Approved
0.8051 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7969 Intermediate Similarity NPD7736 Approved
0.7881 Intermediate Similarity NPD6412 Phase 2
0.7752 Intermediate Similarity NPD8293 Discontinued
0.7742 Intermediate Similarity NPD7115 Discovery
0.7717 Intermediate Similarity NPD6370 Approved
0.7656 Intermediate Similarity NPD8328 Phase 3
0.76 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD7492 Approved
0.7559 Intermediate Similarity NPD6054 Approved
0.7538 Intermediate Similarity NPD6616 Approved
0.7481 Intermediate Similarity NPD7078 Approved
0.7481 Intermediate Similarity NPD8074 Phase 3
0.748 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD7638 Approved
0.7422 Intermediate Similarity NPD6059 Approved
0.7419 Intermediate Similarity NPD8297 Approved
0.7419 Intermediate Similarity NPD6882 Approved
0.7398 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD7639 Approved
0.7373 Intermediate Similarity NPD7640 Approved
0.7364 Intermediate Similarity NPD6016 Approved
0.7364 Intermediate Similarity NPD6015 Approved
0.7323 Intermediate Similarity NPD6009 Approved
0.7308 Intermediate Similarity NPD5988 Approved
0.7287 Intermediate Similarity NPD6319 Approved
0.7222 Intermediate Similarity NPD4632 Approved
0.72 Intermediate Similarity NPD6649 Approved
0.72 Intermediate Similarity NPD6650 Approved
0.7177 Intermediate Similarity NPD6373 Approved
0.7177 Intermediate Similarity NPD6372 Approved
0.7155 Intermediate Similarity NPD6399 Phase 3
0.7154 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD6067 Discontinued
0.7097 Intermediate Similarity NPD6899 Approved
0.7097 Intermediate Similarity NPD7320 Approved
0.7097 Intermediate Similarity NPD6881 Approved
0.7073 Intermediate Similarity NPD6675 Approved
0.7073 Intermediate Similarity NPD6402 Approved
0.7073 Intermediate Similarity NPD7128 Approved
0.7073 Intermediate Similarity NPD5739 Approved
0.7073 Intermediate Similarity NPD6008 Approved
0.7069 Intermediate Similarity NPD8034 Phase 2
0.7069 Intermediate Similarity NPD8035 Phase 2
0.7063 Intermediate Similarity NPD8130 Phase 1
0.7016 Intermediate Similarity NPD5697 Approved
0.7 Intermediate Similarity NPD4225 Approved
0.7 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.6984 Remote Similarity NPD7290 Approved
0.6984 Remote Similarity NPD6883 Approved
0.6984 Remote Similarity NPD7102 Approved
0.6929 Remote Similarity NPD6869 Approved
0.6929 Remote Similarity NPD6847 Approved
0.6929 Remote Similarity NPD6617 Approved
0.6923 Remote Similarity NPD7637 Suspended
0.6917 Remote Similarity NPD7902 Approved
0.6912 Remote Similarity NPD6033 Approved
0.6905 Remote Similarity NPD6012 Approved
0.6905 Remote Similarity NPD6013 Approved
0.6905 Remote Similarity NPD6014 Approved
0.688 Remote Similarity NPD5701 Approved
0.6875 Remote Similarity NPD6053 Discontinued
0.6866 Remote Similarity NPD7604 Phase 2
0.6842 Remote Similarity NPD6921 Approved
0.6842 Remote Similarity NPD5983 Phase 2
0.6829 Remote Similarity NPD7632 Discontinued
0.6825 Remote Similarity NPD6011 Approved
0.6807 Remote Similarity NPD7748 Approved
0.6777 Remote Similarity NPD6083 Phase 2
0.6777 Remote Similarity NPD6084 Phase 2
0.677 Remote Similarity NPD7799 Discontinued
0.6765 Remote Similarity NPD6336 Discontinued
0.6763 Remote Similarity NPD7260 Phase 2
0.675 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6746 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6724 Remote Similarity NPD7524 Approved
0.6723 Remote Similarity NPD8171 Discontinued
0.6719 Remote Similarity NPD4634 Approved
0.6696 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6695 Remote Similarity NPD46 Approved
0.6695 Remote Similarity NPD6698 Approved
0.6694 Remote Similarity NPD5211 Phase 2
0.6689 Remote Similarity NPD7625 Phase 1
0.6667 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6642 Remote Similarity NPD8451 Approved
0.6639 Remote Similarity NPD7515 Phase 2
0.6639 Remote Similarity NPD6411 Approved
0.6639 Remote Similarity NPD4755 Approved
0.6639 Remote Similarity NPD5284 Approved
0.6639 Remote Similarity NPD5281 Approved
0.6639 Remote Similarity NPD7983 Approved
0.6639 Remote Similarity NPD6079 Approved
0.6638 Remote Similarity NPD3618 Phase 1
0.6613 Remote Similarity NPD5344 Discontinued
0.661 Remote Similarity NPD5328 Approved
0.6609 Remote Similarity NPD4786 Approved
0.6609 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6596 Remote Similarity NPD6845 Suspended
0.6594 Remote Similarity NPD8448 Approved
0.6593 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6587 Remote Similarity NPD5141 Approved
0.6585 Remote Similarity NPD5696 Approved
0.6583 Remote Similarity NPD5779 Approved
0.6583 Remote Similarity NPD4202 Approved
0.6583 Remote Similarity NPD5778 Approved
0.6571 Remote Similarity NPD8391 Approved
0.6571 Remote Similarity NPD5956 Approved
0.6571 Remote Similarity NPD8392 Approved
0.6571 Remote Similarity NPD8390 Approved
0.6567 Remote Similarity NPD7101 Approved
0.6567 Remote Similarity NPD7100 Approved
0.656 Remote Similarity NPD5226 Approved
0.656 Remote Similarity NPD4633 Approved
0.656 Remote Similarity NPD5224 Approved
0.656 Remote Similarity NPD5225 Approved
0.6555 Remote Similarity NPD5207 Approved
0.6555 Remote Similarity NPD7838 Discovery
0.6532 Remote Similarity NPD4700 Approved
0.6532 Remote Similarity NPD6648 Approved
0.6528 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6695 Phase 3
0.6508 Remote Similarity NPD5175 Approved
0.6508 Remote Similarity NPD5174 Approved
0.6493 Remote Similarity NPD6335 Approved
0.648 Remote Similarity NPD5223 Approved
0.6479 Remote Similarity NPD8449 Approved
0.6479 Remote Similarity NPD8338 Approved
0.6475 Remote Similarity NPD5695 Phase 3
0.6471 Remote Similarity NPD6101 Approved
0.6471 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6051 Approved
0.6466 Remote Similarity NPD6274 Approved
0.6462 Remote Similarity NPD6371 Approved
0.6449 Remote Similarity NPD8340 Approved
0.6449 Remote Similarity NPD8299 Approved
0.6449 Remote Similarity NPD8341 Approved
0.6449 Remote Similarity NPD8342 Approved
0.6441 Remote Similarity NPD7750 Discontinued
0.6435 Remote Similarity NPD3667 Approved
0.6434 Remote Similarity NPD4729 Approved
0.6434 Remote Similarity NPD4730 Approved
0.6434 Remote Similarity NPD8450 Suspended
0.6424 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6423 Remote Similarity NPD4697 Phase 3
0.6423 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6423 Remote Similarity NPD5222 Approved
0.6423 Remote Similarity NPD5221 Approved
0.6418 Remote Similarity NPD6317 Approved
0.641 Remote Similarity NPD1694 Approved
0.6406 Remote Similarity NPD4768 Approved
0.6406 Remote Similarity NPD4767 Approved
0.6404 Remote Similarity NPD7525 Registered
0.6393 Remote Similarity NPD6001 Approved
0.6387 Remote Similarity NPD6903 Approved
0.6387 Remote Similarity NPD5737 Approved
0.6387 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6387 Remote Similarity NPD6672 Approved
0.6377 Remote Similarity NPD7830 Approved
0.6377 Remote Similarity NPD7829 Approved
0.6371 Remote Similarity NPD5173 Approved
0.637 Remote Similarity NPD6314 Approved
0.637 Remote Similarity NPD6313 Approved
0.6364 Remote Similarity NPD5693 Phase 1
0.6356 Remote Similarity NPD7334 Approved
0.6356 Remote Similarity NPD6409 Approved
0.6356 Remote Similarity NPD5330 Approved
0.6356 Remote Similarity NPD7146 Approved
0.6356 Remote Similarity NPD6684 Approved
0.6356 Remote Similarity NPD7521 Approved
0.635 Remote Similarity NPD8444 Approved
0.635 Remote Similarity NPD6909 Approved
0.635 Remote Similarity NPD6908 Approved

Structure

External Identifiers

PubChem CID   23626324
ChEMBL   CHEMBL251068
ZINC  

Physicochemical Properties

Molecular Weight:  614.38
ALogP:  1.0808
MLogP:  4.54
XLogP:  7.48
# Rotatable Bonds:  17
Polar Surface Area:  125.68
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  44

Download Data

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Biological Activities  
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