Natural Product: NPC477235

Natural Product ID:  NPC477235
Common Name:   Pervicoside C
IUPAC Name:  
Synonyms:   Pervicoside C
Molecular Formula:   C54H88O25S.Na
Standard InCHIKey:  DEHSMOLOWCNYJI-CVURUQKOSA-M
Standard InCHI:  InChI=1S/C54H88O25S.Na/c1-23(2)11-10-16-53(8)31-14-18-52(7)25-12-13-30-50(4,5)33(15-17-51(30,6)26(25)19-32(57)54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46;/h19,23-25,27-48,55-64H,10-18,20-22H2,1-9H3,(H,66,67,68);/q;+1/p-1/t24-,25-,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,51-,52+,53+,54-;/m1./s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H]([C@@H]([C@H]2O)O)O[C@H]2[C@@H](OC[C@H]([C@@H]2O)OS(=O)(=O)[O-])O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@H]2C3=C[C@H](O)[C@@]34[C@@]2(C)CC[C@@H]4[C@](OC3=O)(C)CCCC(C)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC)O)O.[Na+]
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
NPO16258 Holothuria fuscocinerea Species Holothuriidae Eukaryota collected at a depth of 2-30 m by a fishery bottom trawler from offshore waters of Leizhou Bay (Zhanjiang, Guangdong Province) in the South China Sea 2004-NOV PMID[17067169]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 = 4480 nM 17067169
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 660 nM 17067169

  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 NPC477235 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
0.9672 High Similarity NPC477234
0.9516 High Similarity NPC477236
0.9365 High Similarity NPC477233
0.9365 High Similarity NPC477232
0.9333 High Similarity NPC476674
0.92 High Similarity NPC478069
0.9083 High Similarity NPC476672
0.8943 High Similarity NPC476673
0.8917 High Similarity NPC207738
0.8843 High Similarity NPC153673
0.8843 High Similarity NPC473645
0.8843 High Similarity NPC144644
0.8843 High Similarity NPC142151
0.8843 High Similarity NPC110385
0.8843 High Similarity NPC267694
0.8843 High Similarity NPC37860
0.8833 High Similarity NPC105800
0.8833 High Similarity NPC232237
0.8824 High Similarity NPC146652
0.878 High Similarity NPC256983
0.878 High Similarity NPC160084
0.877 High Similarity NPC275225
0.877 High Similarity NPC51099
0.877 High Similarity NPC293031
0.877 High Similarity NPC68767
0.877 High Similarity NPC476675
0.876 High Similarity NPC477071
0.875 High Similarity NPC473824
0.875 High Similarity NPC475119
0.874 High Similarity NPC322904
0.874 High Similarity NPC233223
0.874 High Similarity NPC475444
0.874 High Similarity NPC183816
0.874 High Similarity NPC324933
0.874 High Similarity NPC319719
0.874 High Similarity NPC196874
0.874 High Similarity NPC475177
0.874 High Similarity NPC473679
0.871 High Similarity NPC473474
0.8699 High Similarity NPC156789
0.8689 High Similarity NPC129393
0.8689 High Similarity NPC268184
0.8689 High Similarity NPC476670
0.8678 High Similarity NPC475899
0.8667 High Similarity NPC75287
0.8667 High Similarity NPC279638
0.8667 High Similarity NPC291903
0.8667 High Similarity NPC476992
0.8667 High Similarity NPC305267
0.8667 High Similarity NPC26626
0.8667 High Similarity NPC288205
0.8667 High Similarity NPC37134
0.8667 High Similarity NPC469820
0.8667 High Similarity NPC469823
0.8667 High Similarity NPC51465
0.8661 High Similarity NPC311178
0.8661 High Similarity NPC222951
0.8661 High Similarity NPC43589
0.8661 High Similarity NPC300655
0.8655 High Similarity NPC476671
0.8629 High Similarity NPC41129
0.8618 High Similarity NPC475182
0.8618 High Similarity NPC477463
0.8607 High Similarity NPC25663
0.8607 High Similarity NPC471577
0.8607 High Similarity NPC135849
0.8607 High Similarity NPC477464
0.8607 High Similarity NPC51564
0.8595 High Similarity NPC220160
0.8595 High Similarity NPC309223
0.8595 High Similarity NPC191827
0.8595 High Similarity NPC68175
0.8595 High Similarity NPC104137
0.8595 High Similarity NPC102505
0.8595 High Similarity NPC123522
0.8595 High Similarity NPC69811
0.8595 High Similarity NPC475514
0.8595 High Similarity NPC33012
0.8595 High Similarity NPC286457
0.8595 High Similarity NPC473452
0.8595 High Similarity NPC470876
0.8595 High Similarity NPC8524
0.8595 High Similarity NPC475209
0.8595 High Similarity NPC300419
0.8595 High Similarity NPC471547
0.8595 High Similarity NPC85154
0.8583 High Similarity NPC220293
0.8583 High Similarity NPC469821
0.8583 High Similarity NPC164389
0.8583 High Similarity NPC475486
0.8583 High Similarity NPC473882
0.856 High Similarity NPC130229
0.856 High Similarity NPC248202
0.8559 High Similarity NPC101450
0.8537 High Similarity NPC475187
0.8537 High Similarity NPC476991
0.8527 High Similarity NPC316915
0.8525 High Similarity NPC469822
0.8525 High Similarity NPC36831
0.8525 High Similarity NPC237191
0.8525 High Similarity NPC473459
0.8512 High Similarity NPC160415
0.8512 High Similarity NPC161674
0.8512 High Similarity NPC471384
0.8512 High Similarity NPC58448
0.8504 High Similarity NPC45606
0.8504 High Similarity NPC470476
0.8504 High Similarity NPC472270
0.8504 High Similarity NPC23020
0.8504 High Similarity NPC472269
0.8504 High Similarity NPC472268
0.8504 High Similarity NPC470475
0.8504 High Similarity NPC112492
0.8504 High Similarity NPC220838
0.85 High Similarity NPC309714
0.85 High Similarity NPC155410
0.85 High Similarity NPC166422
0.85 High Similarity NPC241909
0.85 High Similarity NPC114304
0.85 High Similarity NPC146563
0.85 High Similarity NPC151543
0.85 High Similarity NPC251309
0.85 High Similarity NPC46665
0.85 High Similarity NPC251263
0.85 High Similarity NPC323341
0.85 High Similarity NPC192600
0.85 High Similarity NPC475467
0.85 High Similarity NPC174720
0.85 High Similarity NPC114287
0.85 High Similarity NPC477074
0.85 High Similarity NPC475287
0.85 High Similarity NPC473826
0.85 High Similarity NPC295823
0.85 High Similarity NPC133818
0.85 High Similarity NPC219180
0.8492 Intermediate Similarity NPC470218
0.8487 Intermediate Similarity NPC263827
0.8487 Intermediate Similarity NPC285410
0.8487 Intermediate Similarity NPC250481
0.8487 Intermediate Similarity NPC272242
0.848 Intermediate Similarity NPC30735
0.848 Intermediate Similarity NPC281148
0.848 Intermediate Similarity NPC235405
0.8473 Intermediate Similarity NPC329675
0.8468 Intermediate Similarity NPC249553
0.8468 Intermediate Similarity NPC182900
0.8455 Intermediate Similarity NPC473386
0.845 Intermediate Similarity NPC231240
0.8443 Intermediate Similarity NPC136768
0.8443 Intermediate Similarity NPC471580
0.8443 Intermediate Similarity NPC323359
0.8443 Intermediate Similarity NPC110633
0.8443 Intermediate Similarity NPC148417
0.8438 Intermediate Similarity NPC476966
0.843 Intermediate Similarity NPC469782
0.843 Intermediate Similarity NPC202828
0.843 Intermediate Similarity NPC293330
0.843 Intermediate Similarity NPC100639
0.843 Intermediate Similarity NPC471385
0.843 Intermediate Similarity NPC294453
0.843 Intermediate Similarity NPC79643
0.843 Intermediate Similarity NPC70809
0.843 Intermediate Similarity NPC476068
0.843 Intermediate Similarity NPC60557
0.843 Intermediate Similarity NPC204414
0.843 Intermediate Similarity NPC54395
0.843 Intermediate Similarity NPC116024
0.843 Intermediate Similarity NPC475160
0.843 Intermediate Similarity NPC250247
0.843 Intermediate Similarity NPC76972
0.843 Intermediate Similarity NPC4328
0.843 Intermediate Similarity NPC54636
0.843 Intermediate Similarity NPC123199
0.843 Intermediate Similarity NPC119592
0.843 Intermediate Similarity NPC43550
0.843 Intermediate Similarity NPC224381
0.843 Intermediate Similarity NPC71065
0.843 Intermediate Similarity NPC227551
0.843 Intermediate Similarity NPC473714
0.843 Intermediate Similarity NPC471550
0.843 Intermediate Similarity NPC65105
0.843 Intermediate Similarity NPC305981
0.843 Intermediate Similarity NPC298034
0.843 Intermediate Similarity NPC57484
0.843 Intermediate Similarity NPC41061
0.843 Intermediate Similarity NPC236638
0.843 Intermediate Similarity NPC475140
0.843 Intermediate Similarity NPC309907
0.843 Intermediate Similarity NPC161717
0.843 Intermediate Similarity NPC67857
0.843 Intermediate Similarity NPC261506
0.8425 Intermediate Similarity NPC470516
0.8417 Intermediate Similarity NPC469946
0.8417 Intermediate Similarity NPC324875
0.8417 Intermediate Similarity NPC104071
0.8417 Intermediate Similarity NPC276093
0.8417 Intermediate Similarity NPC104400
0.8417 Intermediate Similarity NPC475504
0.8417 Intermediate Similarity NPC101744
0.8417 Intermediate Similarity NPC473373

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477235 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
0.8197 Intermediate Similarity NPD8133 Approved
0.8175 Intermediate Similarity NPD8515 Approved
0.8175 Intermediate Similarity NPD8516 Approved
0.8175 Intermediate Similarity NPD8517 Approved
0.8095 Intermediate Similarity NPD8377 Approved
0.8095 Intermediate Similarity NPD8294 Approved
0.8047 Intermediate Similarity NPD8328 Phase 3
0.8031 Intermediate Similarity NPD8380 Approved
0.8031 Intermediate Similarity NPD8379 Approved
0.8031 Intermediate Similarity NPD8296 Approved
0.8031 Intermediate Similarity NPD8513 Phase 3
0.8031 Intermediate Similarity NPD8335 Approved
0.8031 Intermediate Similarity NPD8378 Approved
0.8015 Intermediate Similarity NPD7319 Approved
0.7923 Intermediate Similarity NPD7507 Approved
0.7891 Intermediate Similarity NPD8033 Approved
0.7869 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD7736 Approved
0.7727 Intermediate Similarity NPD8293 Discontinued
0.7656 Intermediate Similarity NPD7327 Approved
0.7656 Intermediate Similarity NPD7328 Approved
0.7597 Intermediate Similarity NPD7516 Approved
0.7561 Intermediate Similarity NPD6412 Phase 2
0.7557 Intermediate Similarity NPD6370 Approved
0.75 Intermediate Similarity NPD6686 Approved
0.7481 Intermediate Similarity NPD7503 Approved
0.746 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7492 Approved
0.7442 Intermediate Similarity NPD7115 Discovery
0.7405 Intermediate Similarity NPD6054 Approved
0.7405 Intermediate Similarity NPD6059 Approved
0.7388 Intermediate Similarity NPD6616 Approved
0.7333 Intermediate Similarity NPD7078 Approved
0.7258 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD6015 Approved
0.7218 Intermediate Similarity NPD6016 Approved
0.7164 Intermediate Similarity NPD5988 Approved
0.7143 Intermediate Similarity NPD6319 Approved
0.708 Intermediate Similarity NPD8074 Phase 3
0.7 Intermediate Similarity NPD6882 Approved
0.7 Intermediate Similarity NPD8297 Approved
0.6985 Remote Similarity NPD6067 Discontinued
0.6935 Remote Similarity NPD7639 Approved
0.6935 Remote Similarity NPD7640 Approved
0.6917 Remote Similarity NPD6009 Approved
0.6906 Remote Similarity NPD6033 Approved
0.6899 Remote Similarity NPD6372 Approved
0.6899 Remote Similarity NPD6373 Approved
0.686 Remote Similarity NPD8171 Discontinued
0.686 Remote Similarity NPD6399 Phase 3
0.6855 Remote Similarity NPD7638 Approved
0.6855 Remote Similarity NPD4225 Approved
0.6822 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6822 Remote Similarity NPD7320 Approved
0.6818 Remote Similarity NPD4632 Approved
0.6797 Remote Similarity NPD5739 Approved
0.6797 Remote Similarity NPD6675 Approved
0.6797 Remote Similarity NPD6008 Approved
0.6797 Remote Similarity NPD7128 Approved
0.6797 Remote Similarity NPD6402 Approved
0.6794 Remote Similarity NPD6650 Approved
0.6794 Remote Similarity NPD6649 Approved
0.6783 Remote Similarity NPD8450 Suspended
0.6777 Remote Similarity NPD8034 Phase 2
0.6777 Remote Similarity NPD8035 Phase 2
0.6774 Remote Similarity NPD7902 Approved
0.6769 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6718 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6713 Remote Similarity NPD8449 Approved
0.6692 Remote Similarity NPD6899 Approved
0.6692 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD7748 Approved
0.6615 Remote Similarity NPD5697 Approved
0.6615 Remote Similarity NPD5701 Approved
0.6591 Remote Similarity NPD7290 Approved
0.6591 Remote Similarity NPD4634 Approved
0.6591 Remote Similarity NPD6883 Approved
0.6591 Remote Similarity NPD7102 Approved
0.6579 Remote Similarity NPD7625 Phase 1
0.6541 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6541 Remote Similarity NPD6847 Approved
0.6541 Remote Similarity NPD6869 Approved
0.6541 Remote Similarity NPD6617 Approved
0.6532 Remote Similarity NPD7900 Approved
0.6532 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6515 Remote Similarity NPD6014 Approved
0.6515 Remote Similarity NPD6013 Approved
0.6515 Remote Similarity NPD6012 Approved
0.6508 Remote Similarity NPD6083 Phase 2
0.6508 Remote Similarity NPD6084 Phase 2
0.6504 Remote Similarity NPD7515 Phase 2
0.6504 Remote Similarity NPD7637 Suspended
0.65 Remote Similarity NPD7604 Phase 2
0.6489 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5954 Clinical (unspecified phase)
0.648 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6475 Remote Similarity NPD5983 Phase 2
0.6458 Remote Similarity NPD5956 Approved
0.6439 Remote Similarity NPD6011 Approved
0.6434 Remote Similarity NPD5211 Phase 2
0.6434 Remote Similarity NPD7632 Discontinued
0.6434 Remote Similarity NPD8337 Approved
0.6434 Remote Similarity NPD8336 Approved
0.6417 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6408 Remote Similarity NPD6336 Discontinued
0.6378 Remote Similarity NPD4755 Approved
0.6371 Remote Similarity NPD7983 Approved
0.637 Remote Similarity NPD6053 Discontinued
0.6364 Remote Similarity NPD3618 Phase 1
0.6357 Remote Similarity NPD6921 Approved
0.6357 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6343 Remote Similarity NPD6371 Approved
0.6341 Remote Similarity NPD5328 Approved
0.6338 Remote Similarity NPD8341 Approved
0.6338 Remote Similarity NPD8299 Approved
0.6338 Remote Similarity NPD8342 Approved
0.6338 Remote Similarity NPD8340 Approved
0.6336 Remote Similarity NPD5141 Approved
0.6333 Remote Similarity NPD4786 Approved
0.6328 Remote Similarity NPD5696 Approved
0.6328 Remote Similarity NPD8029 Clinical (unspecified phase)
0.632 Remote Similarity NPD5778 Approved
0.632 Remote Similarity NPD4202 Approved
0.632 Remote Similarity NPD5779 Approved
0.6279 Remote Similarity NPD5286 Approved
0.6279 Remote Similarity NPD4700 Approved
0.6279 Remote Similarity NPD5285 Approved
0.6279 Remote Similarity NPD4696 Approved
0.6272 Remote Similarity NPD7799 Discontinued
0.6259 Remote Similarity NPD8338 Approved
0.625 Remote Similarity NPD8448 Approved
0.624 Remote Similarity NPD6079 Approved
0.624 Remote Similarity NPD6411 Approved
0.6233 Remote Similarity NPD8391 Approved
0.6233 Remote Similarity NPD8390 Approved
0.6233 Remote Similarity NPD8392 Approved
0.6232 Remote Similarity NPD6274 Approved
0.622 Remote Similarity NPD5695 Phase 3
0.6214 Remote Similarity NPD7101 Approved
0.6214 Remote Similarity NPD7100 Approved
0.6198 Remote Similarity NPD3668 Phase 3
0.6187 Remote Similarity NPD6317 Approved
0.6183 Remote Similarity NPD5224 Approved
0.6183 Remote Similarity NPD5225 Approved
0.6183 Remote Similarity NPD5226 Approved
0.6183 Remote Similarity NPD4633 Approved
0.6181 Remote Similarity NPD8451 Approved
0.6179 Remote Similarity NPD7524 Approved
0.6172 Remote Similarity NPD4697 Phase 3
0.6167 Remote Similarity NPD3667 Approved
0.6165 Remote Similarity NPD4767 Approved
0.6165 Remote Similarity NPD4768 Approved
0.616 Remote Similarity NPD6698 Approved
0.616 Remote Similarity NPD46 Approved
0.6143 Remote Similarity NPD6335 Approved
0.6142 Remote Similarity NPD6001 Approved
0.6136 Remote Similarity NPD5174 Approved
0.6136 Remote Similarity NPD5175 Approved
0.6136 Remote Similarity NPD4754 Approved
0.6134 Remote Similarity NPD7525 Registered
0.6129 Remote Similarity NPD6672 Approved
0.6129 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5737 Approved
0.6129 Remote Similarity NPD6903 Approved
0.6127 Remote Similarity NPD6909 Approved
0.6127 Remote Similarity NPD6908 Approved
0.6115 Remote Similarity NPD6940 Discontinued
0.6107 Remote Similarity NPD5223 Approved
0.6098 Remote Similarity NPD7521 Approved
0.6098 Remote Similarity NPD7334 Approved
0.6098 Remote Similarity NPD6409 Approved
0.6098 Remote Similarity NPD5330 Approved
0.6098 Remote Similarity NPD7146 Approved
0.6098 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6684 Approved
0.608 Remote Similarity NPD6101 Approved
0.608 Remote Similarity NPD4753 Phase 2
0.608 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6074 Remote Similarity NPD4730 Approved
0.6074 Remote Similarity NPD4729 Approved
0.6071 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6066 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6047 Remote Similarity NPD5221 Approved
0.6047 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6047 Remote Similarity NPD5222 Approved
0.6047 Remote Similarity NPD7839 Suspended
0.6028 Remote Similarity NPD6313 Approved
0.6028 Remote Similarity NPD6314 Approved
0.6016 Remote Similarity NPD5282 Discontinued
0.6 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD6868 Approved
0.5987 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5985 Remote Similarity NPD5251 Approved
0.5985 Remote Similarity NPD5344 Discontinued
0.5985 Remote Similarity NPD5247 Approved
0.5985 Remote Similarity NPD5250 Approved
0.5985 Remote Similarity NPD5248 Approved
0.5985 Remote Similarity NPD5249 Phase 3

Structure

External Identifiers

PubChem CID   44559166
ChEMBL   CHEMBL504650
ZINC  

Physicochemical Properties

Molecular Weight:  1167.53
ALogP:  -4.7883
MLogP:  4.54
XLogP:  0.149
# Rotatable Bonds:  37
Polar Surface Area:  386.48
# H-Bond Aceptor:  25
# H-Bond Donor:  10
# Rings:  9
# Heavy Atoms:  80

Download Data

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