Natural Product: NPC477493

Natural Product ID:  NPC477493
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C46H72O18
Standard InCHIKey:  BCQPDWXLZYJFGT-SNTJMDAJSA-N
Standard InCHI:  InChI=1S/C46H72O18/c1-10-20(2)40(54)61-37-38-43(6)14-12-25(17-24(43)11-15-45(38)46(64-45)16-13-26(21(3)48)44(46,7)39(37)53)59-29-18-27(55-8)34(22(4)57-29)62-42-33(52)36(56-9)35(23(5)58-42)63-41-32(51)31(50)30(49)28(19-47)60-41/h10,22-39,41-42,47,49-53H,11-19H2,1-9H3/b20-10+/t22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32-,33-,34-,35-,36+,37+,38-,39-,41+,42+,43+,44+,45+,46-/m1/s1
Canonical SMILES:  CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@]24[C@@H]3[C@H](OC(=O)/C(=C/C)/C)[C@@H](O)[C@]3([C@]4(O2)CC[C@@H]3C(=O)C)C)C)O[C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)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
NPO23320 Marsdenia tenacissima Species Apocynaceae Eukaryota stems Simao County, Yunnan Province, China 2005-MAR PMID[25215856]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio IC50 = 133 25215856
NPT2 Others Unspecified IC50 = 180 nM 25215856
NPT2 Others Unspecified IC50 = 23900 nM 25215856

  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 NPC477493 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
0.9832 High Similarity NPC114306
0.9832 High Similarity NPC477490
0.8846 High Similarity NPC290746
0.8846 High Similarity NPC79250
0.875 High Similarity NPC477709
0.875 High Similarity NPC476221
0.8692 High Similarity NPC59288
0.8672 High Similarity NPC93416
0.8655 High Similarity NPC477492
0.8655 High Similarity NPC477489
0.8651 High Similarity NPC240070
0.8651 High Similarity NPC329784
0.8615 High Similarity NPC194716
0.8594 High Similarity NPC16569
0.8594 High Similarity NPC159338
0.8594 High Similarity NPC253456
0.855 High Similarity NPC329675
0.8538 High Similarity NPC329636
0.8527 High Similarity NPC19124
0.8527 High Similarity NPC471855
0.8527 High Similarity NPC42670
0.8516 High Similarity NPC276838
0.8516 High Similarity NPC125077
0.8516 High Similarity NPC329986
0.8516 High Similarity NPC232785
0.8516 High Similarity NPC140092
0.8516 High Similarity NPC188234
0.8516 High Similarity NPC91
0.8462 Intermediate Similarity NPC469749
0.8462 Intermediate Similarity NPC116075
0.8462 Intermediate Similarity NPC225385
0.8462 Intermediate Similarity NPC142756
0.8462 Intermediate Similarity NPC32793
0.8462 Intermediate Similarity NPC298783
0.8462 Intermediate Similarity NPC247190
0.8462 Intermediate Similarity NPC104585
0.8462 Intermediate Similarity NPC146857
0.8462 Intermediate Similarity NPC157817
0.8413 Intermediate Similarity NPC27363
0.8385 Intermediate Similarity NPC473805
0.8385 Intermediate Similarity NPC473519
0.8372 Intermediate Similarity NPC471407
0.8359 Intermediate Similarity NPC471356
0.8359 Intermediate Similarity NPC471357
0.8359 Intermediate Similarity NPC179412
0.8359 Intermediate Similarity NPC146456
0.8359 Intermediate Similarity NPC117702
0.8359 Intermediate Similarity NPC469757
0.8333 Intermediate Similarity NPC28532
0.8333 Intermediate Similarity NPC264336
0.8321 Intermediate Similarity NPC102015
0.8321 Intermediate Similarity NPC316915
0.832 Intermediate Similarity NPC108072
0.8308 Intermediate Similarity NPC173347
0.8293 Intermediate Similarity NPC472718
0.8281 Intermediate Similarity NPC250556
0.8281 Intermediate Similarity NPC469750
0.8271 Intermediate Similarity NPC127656
0.8268 Intermediate Similarity NPC308262
0.8268 Intermediate Similarity NPC208193
0.8268 Intermediate Similarity NPC117445
0.8254 Intermediate Similarity NPC173555
0.8254 Intermediate Similarity NPC120390
0.8254 Intermediate Similarity NPC475590
0.8254 Intermediate Similarity NPC475419
0.8254 Intermediate Similarity NPC474908
0.8254 Intermediate Similarity NPC314535
0.8244 Intermediate Similarity NPC231240
0.8231 Intermediate Similarity NPC469754
0.8231 Intermediate Similarity NPC471352
0.8231 Intermediate Similarity NPC10823
0.8231 Intermediate Similarity NPC284406
0.8231 Intermediate Similarity NPC469752
0.8231 Intermediate Similarity NPC469755
0.8231 Intermediate Similarity NPC471358
0.8231 Intermediate Similarity NPC6108
0.8231 Intermediate Similarity NPC471361
0.8231 Intermediate Similarity NPC471360
0.8231 Intermediate Similarity NPC70542
0.8231 Intermediate Similarity NPC89514
0.8231 Intermediate Similarity NPC251866
0.8231 Intermediate Similarity NPC469751
0.8231 Intermediate Similarity NPC471359
0.8231 Intermediate Similarity NPC219085
0.8231 Intermediate Similarity NPC86159
0.8231 Intermediate Similarity NPC476966
0.8231 Intermediate Similarity NPC17896
0.8231 Intermediate Similarity NPC197707
0.8231 Intermediate Similarity NPC180079
0.8231 Intermediate Similarity NPC469753
0.8231 Intermediate Similarity NPC9499
0.8217 Intermediate Similarity NPC470516
0.8197 Intermediate Similarity NPC207845
0.8197 Intermediate Similarity NPC472719
0.8195 Intermediate Similarity NPC171619
0.8189 Intermediate Similarity NPC74259
0.8189 Intermediate Similarity NPC474423
0.8175 Intermediate Similarity NPC475556
0.8175 Intermediate Similarity NPC474466
0.8175 Intermediate Similarity NPC470312
0.8175 Intermediate Similarity NPC475136
0.8175 Intermediate Similarity NPC135369
0.8175 Intermediate Similarity NPC475629
0.8175 Intermediate Similarity NPC281840
0.8175 Intermediate Similarity NPC72260
0.8154 Intermediate Similarity NPC220838
0.8154 Intermediate Similarity NPC45606
0.8154 Intermediate Similarity NPC311534
0.8134 Intermediate Similarity NPC62172
0.8134 Intermediate Similarity NPC141215
0.8134 Intermediate Similarity NPC289700
0.8134 Intermediate Similarity NPC190065
0.8134 Intermediate Similarity NPC471089
0.8115 Intermediate Similarity NPC469824
0.8115 Intermediate Similarity NPC274833
0.8106 Intermediate Similarity NPC476776
0.8106 Intermediate Similarity NPC478154
0.8102 Intermediate Similarity NPC5153
0.8102 Intermediate Similarity NPC48414
0.8095 Intermediate Similarity NPC30483
0.8095 Intermediate Similarity NPC470897
0.8095 Intermediate Similarity NPC469756
0.8095 Intermediate Similarity NPC55532
0.8095 Intermediate Similarity NPC292467
0.8095 Intermediate Similarity NPC236973
0.8095 Intermediate Similarity NPC329905
0.8095 Intermediate Similarity NPC32177
0.8095 Intermediate Similarity NPC473401
0.8092 Intermediate Similarity NPC280029
0.8092 Intermediate Similarity NPC470518
0.8092 Intermediate Similarity NPC1314
0.8092 Intermediate Similarity NPC252657
0.8092 Intermediate Similarity NPC273878
0.8092 Intermediate Similarity NPC244296
0.8092 Intermediate Similarity NPC252289
0.8092 Intermediate Similarity NPC82380
0.8092 Intermediate Similarity NPC9470
0.8092 Intermediate Similarity NPC115656
0.8092 Intermediate Similarity NPC472267
0.8092 Intermediate Similarity NPC88311
0.8092 Intermediate Similarity NPC477196
0.8092 Intermediate Similarity NPC269484
0.8092 Intermediate Similarity NPC107536
0.8092 Intermediate Similarity NPC97918
0.8092 Intermediate Similarity NPC11577
0.8092 Intermediate Similarity NPC231529
0.8092 Intermediate Similarity NPC141600
0.8092 Intermediate Similarity NPC305793
0.808 Intermediate Similarity NPC78836
0.808 Intermediate Similarity NPC473304
0.8077 Intermediate Similarity NPC42399
0.8077 Intermediate Similarity NPC298841
0.8074 Intermediate Similarity NPC596
0.8074 Intermediate Similarity NPC295885
0.8074 Intermediate Similarity NPC140045
0.8062 Intermediate Similarity NPC473505
0.806 Intermediate Similarity NPC262813
0.8047 Intermediate Similarity NPC193893
0.8045 Intermediate Similarity NPC478151
0.8031 Intermediate Similarity NPC476150
0.8031 Intermediate Similarity NPC476127
0.803 Intermediate Similarity NPC471170
0.803 Intermediate Similarity NPC476780
0.803 Intermediate Similarity NPC271610
0.803 Intermediate Similarity NPC478155
0.803 Intermediate Similarity NPC476774
0.803 Intermediate Similarity NPC43589
0.803 Intermediate Similarity NPC477197
0.803 Intermediate Similarity NPC25998
0.803 Intermediate Similarity NPC476775
0.803 Intermediate Similarity NPC300655
0.803 Intermediate Similarity NPC222951
0.803 Intermediate Similarity NPC311178
0.8016 Intermediate Similarity NPC83287
0.8016 Intermediate Similarity NPC471548
0.8015 Intermediate Similarity NPC75616
0.8015 Intermediate Similarity NPC270109
0.8015 Intermediate Similarity NPC477193
0.8015 Intermediate Similarity NPC477191
0.8015 Intermediate Similarity NPC473620
0.8015 Intermediate Similarity NPC477194
0.8015 Intermediate Similarity NPC477192
0.8015 Intermediate Similarity NPC245094
0.8 Intermediate Similarity NPC16729
0.8 Intermediate Similarity NPC229752
0.8 Intermediate Similarity NPC251998
0.8 Intermediate Similarity NPC475462
0.8 Intermediate Similarity NPC473635
0.8 Intermediate Similarity NPC88945
0.8 Intermediate Similarity NPC297950
0.8 Intermediate Similarity NPC471816
0.7986 Intermediate Similarity NPC471172
0.7985 Intermediate Similarity NPC248703
0.7985 Intermediate Similarity NPC476778
0.7985 Intermediate Similarity NPC476777
0.7983 Intermediate Similarity NPC34562
0.797 Intermediate Similarity NPC478150
0.797 Intermediate Similarity NPC183816
0.797 Intermediate Similarity NPC475444
0.797 Intermediate Similarity NPC477195

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477493 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
0.8281 Intermediate Similarity NPD7507 Approved
0.8279 Intermediate Similarity NPD8133 Approved
0.8254 Intermediate Similarity NPD8296 Approved
0.8254 Intermediate Similarity NPD8335 Approved
0.8254 Intermediate Similarity NPD8378 Approved
0.8254 Intermediate Similarity NPD8380 Approved
0.8254 Intermediate Similarity NPD8379 Approved
0.8231 Intermediate Similarity NPD7319 Approved
0.8175 Intermediate Similarity NPD8377 Approved
0.8175 Intermediate Similarity NPD8294 Approved
0.8095 Intermediate Similarity NPD7516 Approved
0.8016 Intermediate Similarity NPD7328 Approved
0.8016 Intermediate Similarity NPD7327 Approved
0.7969 Intermediate Similarity NPD8033 Approved
0.7769 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.771 Intermediate Similarity NPD8328 Phase 3
0.7612 Intermediate Similarity NPD7736 Approved
0.7557 Intermediate Similarity NPD7503 Approved
0.744 Intermediate Similarity NPD6686 Approved
0.736 Intermediate Similarity NPD6412 Phase 2
0.7279 Intermediate Similarity NPD8293 Discontinued
0.7252 Intermediate Similarity NPD7115 Discovery
0.7244 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD6370 Approved
0.7209 Intermediate Similarity NPD6882 Approved
0.7209 Intermediate Similarity NPD8297 Approved
0.7165 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD8513 Phase 3
0.7164 Intermediate Similarity NPD8515 Approved
0.7164 Intermediate Similarity NPD8517 Approved
0.7164 Intermediate Similarity NPD8516 Approved
0.7132 Intermediate Similarity NPD7492 Approved
0.7121 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD6009 Approved
0.7109 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD6054 Approved
0.709 Intermediate Similarity NPD6319 Approved
0.708 Intermediate Similarity NPD6616 Approved
0.7054 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD7078 Approved
0.7023 Intermediate Similarity NPD4632 Approved
0.7 Intermediate Similarity NPD6650 Approved
0.7 Intermediate Similarity NPD6649 Approved
0.6977 Remote Similarity NPD6373 Approved
0.6977 Remote Similarity NPD6372 Approved
0.6963 Remote Similarity NPD6059 Approved
0.6942 Remote Similarity NPD8171 Discontinued
0.6935 Remote Similarity NPD7638 Approved
0.6912 Remote Similarity NPD6015 Approved
0.6912 Remote Similarity NPD6016 Approved
0.6899 Remote Similarity NPD6881 Approved
0.6899 Remote Similarity NPD6899 Approved
0.688 Remote Similarity NPD7639 Approved
0.688 Remote Similarity NPD7640 Approved
0.6875 Remote Similarity NPD7128 Approved
0.6875 Remote Similarity NPD6008 Approved
0.6875 Remote Similarity NPD5739 Approved
0.6875 Remote Similarity NPD6402 Approved
0.6875 Remote Similarity NPD6675 Approved
0.687 Remote Similarity NPD8130 Phase 1
0.6861 Remote Similarity NPD5988 Approved
0.6822 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6822 Remote Similarity NPD5697 Approved
0.6812 Remote Similarity NPD7604 Phase 2
0.6794 Remote Similarity NPD7102 Approved
0.6794 Remote Similarity NPD6883 Approved
0.6794 Remote Similarity NPD7290 Approved
0.6769 Remote Similarity NPD7320 Approved
0.6742 Remote Similarity NPD6847 Approved
0.6742 Remote Similarity NPD6617 Approved
0.6742 Remote Similarity NPD6869 Approved
0.6718 Remote Similarity NPD6012 Approved
0.6718 Remote Similarity NPD6014 Approved
0.6718 Remote Similarity NPD6013 Approved
0.6692 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD6921 Approved
0.6645 Remote Similarity NPD7625 Phase 1
0.6641 Remote Similarity NPD6011 Approved
0.6617 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6596 Remote Similarity NPD6336 Discontinued
0.6541 Remote Similarity NPD4634 Approved
0.6512 Remote Similarity NPD5211 Phase 2
0.6503 Remote Similarity NPD6033 Approved
0.6493 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6484 Remote Similarity NPD4696 Approved
0.6484 Remote Similarity NPD5285 Approved
0.6484 Remote Similarity NPD5286 Approved
0.6457 Remote Similarity NPD4755 Approved
0.6457 Remote Similarity NPD7902 Approved
0.6454 Remote Similarity NPD6067 Discontinued
0.6452 Remote Similarity NPD8035 Phase 2
0.6452 Remote Similarity NPD8034 Phase 2
0.6444 Remote Similarity NPD6053 Discontinued
0.6434 Remote Similarity NPD5344 Discontinued
0.6434 Remote Similarity NPD1700 Approved
0.6423 Remote Similarity NPD6274 Approved
0.6418 Remote Similarity NPD6371 Approved
0.6412 Remote Similarity NPD5141 Approved
0.6403 Remote Similarity NPD7101 Approved
0.6403 Remote Similarity NPD7100 Approved
0.6385 Remote Similarity NPD5225 Approved
0.6385 Remote Similarity NPD5226 Approved
0.6385 Remote Similarity NPD7632 Discontinued
0.6385 Remote Similarity NPD5224 Approved
0.6385 Remote Similarity NPD4633 Approved
0.6357 Remote Similarity NPD4700 Approved
0.6349 Remote Similarity NPD7748 Approved
0.6336 Remote Similarity NPD5175 Approved
0.6336 Remote Similarity NPD5174 Approved
0.6331 Remote Similarity NPD6335 Approved
0.6331 Remote Similarity NPD7799 Discontinued
0.6328 Remote Similarity NPD6084 Phase 2
0.6328 Remote Similarity NPD6083 Phase 2
0.6319 Remote Similarity NPD8074 Phase 3
0.6308 Remote Similarity NPD5223 Approved
0.6279 Remote Similarity NPD4225 Approved
0.6269 Remote Similarity NPD4730 Approved
0.6269 Remote Similarity NPD4729 Approved
0.6259 Remote Similarity NPD6317 Approved
0.6241 Remote Similarity NPD4767 Approved
0.6241 Remote Similarity NPD4768 Approved
0.624 Remote Similarity NPD46 Approved
0.624 Remote Similarity NPD6698 Approved
0.622 Remote Similarity NPD7900 Approved
0.622 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6216 Remote Similarity NPD8338 Approved
0.6214 Remote Similarity NPD6314 Approved
0.6214 Remote Similarity NPD6313 Approved
0.6197 Remote Similarity NPD6909 Approved
0.6197 Remote Similarity NPD6908 Approved
0.6197 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6194 Remote Similarity NPD7899 Clinical (unspecified phase)
0.619 Remote Similarity NPD7515 Phase 2
0.619 Remote Similarity NPD6079 Approved
0.6187 Remote Similarity NPD6940 Discontinued
0.6176 Remote Similarity NPD5251 Approved
0.6176 Remote Similarity NPD5248 Approved
0.6176 Remote Similarity NPD5250 Approved
0.6176 Remote Similarity NPD5249 Phase 3
0.6176 Remote Similarity NPD5247 Approved
0.6172 Remote Similarity NPD6356 Clinical (unspecified phase)
0.616 Remote Similarity NPD5328 Approved
0.6154 Remote Similarity NPD5696 Approved
0.6154 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6149 Remote Similarity NPD7260 Phase 2
0.6148 Remote Similarity NPD5128 Approved
0.6142 Remote Similarity NPD6399 Phase 3
0.6142 Remote Similarity NPD4202 Approved
0.6111 Remote Similarity NPD7830 Approved
0.6111 Remote Similarity NPD7829 Approved
0.6107 Remote Similarity NPD6648 Approved
0.6098 Remote Similarity NPD7520 Clinical (unspecified phase)
0.609 Remote Similarity NPD4754 Approved
0.608 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6054 Remote Similarity NPD8336 Approved
0.6054 Remote Similarity NPD8337 Approved
0.605 Remote Similarity NPD6697 Approved
0.605 Remote Similarity NPD6114 Approved
0.605 Remote Similarity NPD6118 Approved
0.605 Remote Similarity NPD6115 Approved
0.6047 Remote Similarity NPD5695 Phase 3
0.6014 Remote Similarity NPD5216 Approved
0.6014 Remote Similarity NPD5217 Approved
0.6014 Remote Similarity NPD5215 Approved
0.6 Remote Similarity NPD5222 Approved
0.6 Remote Similarity NPD4697 Phase 3
0.6 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6 Remote Similarity NPD7642 Approved
0.6 Remote Similarity NPD5221 Approved
0.5973 Remote Similarity NPD5956 Approved
0.5966 Remote Similarity NPD6116 Phase 1
0.596 Remote Similarity NPD8450 Suspended
0.5957 Remote Similarity NPD6868 Approved
0.5954 Remote Similarity NPD5173 Approved
0.595 Remote Similarity NPD6928 Phase 2
0.5942 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5942 Remote Similarity NPD5169 Approved
0.5942 Remote Similarity NPD5135 Approved
0.5938 Remote Similarity NPD7236 Approved
0.5938 Remote Similarity NPD5693 Phase 1
0.5935 Remote Similarity NPD4788 Approved
0.5935 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5935 Remote Similarity NPD3669 Approved
0.5923 Remote Similarity NPD5210 Approved
0.5923 Remote Similarity NPD4629 Approved
0.592 Remote Similarity NPD7334 Approved
0.592 Remote Similarity NPD7521 Approved
0.592 Remote Similarity NPD5330 Approved
0.592 Remote Similarity NPD6409 Approved
0.592 Remote Similarity NPD7146 Approved
0.592 Remote Similarity NPD6684 Approved
0.592 Remote Similarity NPD3618 Phase 1
0.5906 Remote Similarity NPD4753 Phase 2
0.5902 Remote Similarity NPD1780 Approved
0.5902 Remote Similarity NPD1779 Approved
0.5899 Remote Similarity NPD5127 Approved
0.5894 Remote Similarity NPD6845 Suspended
0.5894 Remote Similarity NPD8449 Approved
0.5882 Remote Similarity NPD6117 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3360250
ZINC  

Physicochemical Properties

Molecular Weight:  912.47
ALogP:  -2.8763
MLogP:  4.54
XLogP:  1.297
# Rotatable Bonds:  28
Polar Surface Area:  251.12
# H-Bond Aceptor:  18
# H-Bond Donor:  6
# Rings:  8
# Heavy Atoms:  64

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs