Natural Product: NPC477489

Natural Product ID:  NPC477489
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C37H58O13
Standard InCHIKey:  ITXVKLFFCLEGHM-SEGGQGBKSA-N
Standard InCHI:  InChI=1S/C37H58O13/c1-17(38)23-11-14-37-35(23,6)32(42)30(47-20(4)39)31-34(5)12-10-22(15-21(34)9-13-36(31,37)50-37)48-25-16-24(43-7)28(19(3)45-25)49-33-27(41)29(44-8)26(40)18(2)46-33/h18-19,21-33,40-42H,9-16H2,1-8H3/t18-,19-,21+,22+,23-,24-,25+,26-,27-,28-,29-,30+,31-,32-,33+,34+,35+,36+,37-/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@@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
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 = 130 25215856
NPT2 Others Unspecified IC50 = 180 nM 25215856
NPT2 Others Unspecified IC50 = 23400 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 NPC477489 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
0.9619 High Similarity NPC477492
0.9223 High Similarity NPC34562
0.8981 High Similarity NPC469824
0.8972 High Similarity NPC227879
0.8972 High Similarity NPC208333
0.8962 High Similarity NPC203974
0.8952 High Similarity NPC470167
0.8932 High Similarity NPC20028
0.8879 High Similarity NPC472079
0.8868 High Similarity NPC215408
0.8857 High Similarity NPC471253
0.8857 High Similarity NPC107385
0.8857 High Similarity NPC473406
0.8846 High Similarity NPC477172
0.8818 High Similarity NPC97002
0.8803 High Similarity NPC114306
0.8803 High Similarity NPC477490
0.8796 High Similarity NPC236753
0.8796 High Similarity NPC228190
0.8762 High Similarity NPC470172
0.8762 High Similarity NPC80191
0.8762 High Similarity NPC471254
0.8762 High Similarity NPC310031
0.875 High Similarity NPC41843
0.8739 High Similarity NPC79193
0.8738 High Similarity NPC472273
0.8704 High Similarity NPC202898
0.8704 High Similarity NPC469826
0.8704 High Similarity NPC475319
0.8704 High Similarity NPC92890
0.8655 High Similarity NPC477493
0.8641 High Similarity NPC296936
0.8636 High Similarity NPC473062
0.8624 High Similarity NPC233433
0.8624 High Similarity NPC220836
0.8624 High Similarity NPC92297
0.8624 High Similarity NPC94086
0.8624 High Similarity NPC273002
0.8624 High Similarity NPC473817
0.8584 High Similarity NPC179429
0.8558 High Similarity NPC471241
0.8544 High Similarity NPC57964
0.8544 High Similarity NPC94582
0.8544 High Similarity NPC215570
0.8505 High Similarity NPC476837
0.8505 High Similarity NPC139181
0.8505 High Similarity NPC97260
0.8491 Intermediate Similarity NPC476839
0.8491 Intermediate Similarity NPC108227
0.8491 Intermediate Similarity NPC472081
0.8491 Intermediate Similarity NPC475574
0.8491 Intermediate Similarity NPC476838
0.8491 Intermediate Similarity NPC476512
0.8455 Intermediate Similarity NPC469825
0.8447 Intermediate Similarity NPC477495
0.844 Intermediate Similarity NPC126753
0.8426 Intermediate Similarity NPC469827
0.8411 Intermediate Similarity NPC310138
0.8411 Intermediate Similarity NPC470029
0.8411 Intermediate Similarity NPC114700
0.8411 Intermediate Similarity NPC134967
0.8381 Intermediate Similarity NPC470591
0.8378 Intermediate Similarity NPC470622
0.8365 Intermediate Similarity NPC92196
0.8349 Intermediate Similarity NPC306776
0.8349 Intermediate Similarity NPC166079
0.8286 Intermediate Similarity NPC203434
0.8286 Intermediate Similarity NPC252056
0.8286 Intermediate Similarity NPC238796
0.8286 Intermediate Similarity NPC237071
0.8269 Intermediate Similarity NPC309866
0.8269 Intermediate Similarity NPC191915
0.8269 Intermediate Similarity NPC151214
0.8257 Intermediate Similarity NPC100078
0.8252 Intermediate Similarity NPC204881
0.8252 Intermediate Similarity NPC473830
0.8252 Intermediate Similarity NPC293609
0.8241 Intermediate Similarity NPC80640
0.823 Intermediate Similarity NPC157571
0.823 Intermediate Similarity NPC207845
0.823 Intermediate Similarity NPC472719
0.8224 Intermediate Similarity NPC470030
0.8214 Intermediate Similarity NPC471431
0.8208 Intermediate Similarity NPC477222
0.8208 Intermediate Similarity NPC210157
0.8208 Intermediate Similarity NPC477223
0.8208 Intermediate Similarity NPC266417
0.8198 Intermediate Similarity NPC207693
0.819 Intermediate Similarity NPC477494
0.8182 Intermediate Similarity NPC158051
0.8182 Intermediate Similarity NPC119628
0.8182 Intermediate Similarity NPC158367
0.8174 Intermediate Similarity NPC475490
0.8173 Intermediate Similarity NPC277774
0.8173 Intermediate Similarity NPC473726
0.8155 Intermediate Similarity NPC279329
0.8155 Intermediate Similarity NPC65550
0.8148 Intermediate Similarity NPC178853
0.8142 Intermediate Similarity NPC274833
0.813 Intermediate Similarity NPC473805
0.813 Intermediate Similarity NPC473519
0.8125 Intermediate Similarity NPC240125
0.8125 Intermediate Similarity NPC22709
0.8125 Intermediate Similarity NPC87393
0.8125 Intermediate Similarity NPC91583
0.8125 Intermediate Similarity NPC51947
0.8125 Intermediate Similarity NPC473844
0.8113 Intermediate Similarity NPC163685
0.8113 Intermediate Similarity NPC475765
0.8113 Intermediate Similarity NPC235109
0.8113 Intermediate Similarity NPC142264
0.8113 Intermediate Similarity NPC476510
0.8113 Intermediate Similarity NPC475785
0.8108 Intermediate Similarity NPC475630
0.8108 Intermediate Similarity NPC138219
0.8108 Intermediate Similarity NPC40716
0.8108 Intermediate Similarity NPC475234
0.8103 Intermediate Similarity NPC477252
0.8103 Intermediate Similarity NPC473304
0.8095 Intermediate Similarity NPC473774
0.8095 Intermediate Similarity NPC3538
0.8095 Intermediate Similarity NPC24960
0.8095 Intermediate Similarity NPC113500
0.8095 Intermediate Similarity NPC252253
0.8095 Intermediate Similarity NPC45959
0.8095 Intermediate Similarity NPC477224
0.8091 Intermediate Similarity NPC88469
0.8091 Intermediate Similarity NPC267637
0.8091 Intermediate Similarity NPC327093
0.8087 Intermediate Similarity NPC477465
0.8077 Intermediate Similarity NPC36372
0.8073 Intermediate Similarity NPC213528
0.8073 Intermediate Similarity NPC244969
0.8065 Intermediate Similarity NPC102015
0.8058 Intermediate Similarity NPC131466
0.8058 Intermediate Similarity NPC473472
0.8056 Intermediate Similarity NPC80417
0.8053 Intermediate Similarity NPC66513
0.8037 Intermediate Similarity NPC233649
0.8037 Intermediate Similarity NPC470028
0.8036 Intermediate Similarity NPC262567
0.8036 Intermediate Similarity NPC231566
0.8036 Intermediate Similarity NPC473688
0.8036 Intermediate Similarity NPC471626
0.8036 Intermediate Similarity NPC88744
0.8019 Intermediate Similarity NPC82633
0.8018 Intermediate Similarity NPC184805
0.8018 Intermediate Similarity NPC273189
0.8017 Intermediate Similarity NPC472718
0.8017 Intermediate Similarity NPC88945
0.8 Intermediate Similarity NPC144790
0.8 Intermediate Similarity NPC102619
0.8 Intermediate Similarity NPC172838
0.8 Intermediate Similarity NPC311246
0.8 Intermediate Similarity NPC167644
0.8 Intermediate Similarity NPC161035
0.8 Intermediate Similarity NPC88962
0.8 Intermediate Similarity NPC149400
0.8 Intermediate Similarity NPC137004
0.7982 Intermediate Similarity NPC11035
0.7982 Intermediate Similarity NPC204392
0.7982 Intermediate Similarity NPC275668
0.7982 Intermediate Similarity NPC240734
0.7982 Intermediate Similarity NPC91838
0.7982 Intermediate Similarity NPC1876
0.7981 Intermediate Similarity NPC77756
0.7981 Intermediate Similarity NPC223143
0.7965 Intermediate Similarity NPC8431
0.7963 Intermediate Similarity NPC472144
0.7961 Intermediate Similarity NPC281004
0.7961 Intermediate Similarity NPC476379
0.7949 Intermediate Similarity NPC78836
0.7949 Intermediate Similarity NPC156651
0.7946 Intermediate Similarity NPC471430
0.7944 Intermediate Similarity NPC121453
0.7944 Intermediate Similarity NPC473287
0.7944 Intermediate Similarity NPC116683
0.7944 Intermediate Similarity NPC476728
0.7944 Intermediate Similarity NPC156377
0.7944 Intermediate Similarity NPC304011
0.7944 Intermediate Similarity NPC139271
0.7931 Intermediate Similarity NPC470115
0.7931 Intermediate Similarity NPC470116
0.7925 Intermediate Similarity NPC312678
0.7925 Intermediate Similarity NPC174024
0.7925 Intermediate Similarity NPC253268
0.7925 Intermediate Similarity NPC175
0.7925 Intermediate Similarity NPC294686
0.7925 Intermediate Similarity NPC222731
0.7925 Intermediate Similarity NPC473851
0.7925 Intermediate Similarity NPC179859
0.7925 Intermediate Similarity NPC291547
0.7925 Intermediate Similarity NPC475436
0.7925 Intermediate Similarity NPC473503
0.7925 Intermediate Similarity NPC131693
0.7925 Intermediate Similarity NPC470423
0.7913 Intermediate Similarity NPC470543
0.7913 Intermediate Similarity NPC477253
0.7913 Intermediate Similarity NPC243572
0.7905 Intermediate Similarity NPC5632

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477489 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
0.8774 High Similarity NPD8170 Clinical (unspecified phase)
0.7845 Intermediate Similarity NPD8133 Approved
0.783 Intermediate Similarity NPD8171 Discontinued
0.7652 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD7507 Approved
0.7402 Intermediate Similarity NPD7319 Approved
0.7345 Intermediate Similarity NPD1700 Approved
0.728 Intermediate Similarity NPD8328 Phase 3
0.7258 Intermediate Similarity NPD8380 Approved
0.7258 Intermediate Similarity NPD8296 Approved
0.7258 Intermediate Similarity NPD8335 Approved
0.7258 Intermediate Similarity NPD8378 Approved
0.7258 Intermediate Similarity NPD8379 Approved
0.7236 Intermediate Similarity NPD7516 Approved
0.7188 Intermediate Similarity NPD7736 Approved
0.7177 Intermediate Similarity NPD8294 Approved
0.7177 Intermediate Similarity NPD8377 Approved
0.7154 Intermediate Similarity NPD7328 Approved
0.7154 Intermediate Similarity NPD7327 Approved
0.712 Intermediate Similarity NPD8033 Approved
0.7119 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD6412 Phase 2
0.6992 Remote Similarity NPD6940 Discontinued
0.699 Remote Similarity NPD6114 Approved
0.699 Remote Similarity NPD6118 Approved
0.699 Remote Similarity NPD6697 Approved
0.699 Remote Similarity NPD6115 Approved
0.6977 Remote Similarity NPD8293 Discontinued
0.6893 Remote Similarity NPD6116 Phase 1
0.6857 Remote Similarity NPD6928 Phase 2
0.6822 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6822 Remote Similarity NPD3669 Approved
0.6797 Remote Similarity NPD6370 Approved
0.6796 Remote Similarity NPD6117 Approved
0.6792 Remote Similarity NPD1780 Approved
0.6792 Remote Similarity NPD1779 Approved
0.6748 Remote Similarity NPD6882 Approved
0.6748 Remote Similarity NPD8297 Approved
0.6699 Remote Similarity NPD3702 Approved
0.6699 Remote Similarity NPD3703 Phase 2
0.6692 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD6009 Approved
0.6641 Remote Similarity NPD6059 Approved
0.6641 Remote Similarity NPD6616 Approved
0.6641 Remote Similarity NPD6319 Approved
0.6641 Remote Similarity NPD6054 Approved
0.6639 Remote Similarity NPD6372 Approved
0.6639 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6639 Remote Similarity NPD6373 Approved
0.6637 Remote Similarity NPD8034 Phase 2
0.6637 Remote Similarity NPD8035 Phase 2
0.6602 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6591 Remote Similarity NPD7078 Approved
0.6589 Remote Similarity NPD7503 Approved
0.6589 Remote Similarity NPD6921 Approved
0.6585 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6583 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6583 Remote Similarity NPD4057 Clinical (unspecified phase)
0.656 Remote Similarity NPD4632 Approved
0.6532 Remote Similarity NPD6650 Approved
0.6532 Remote Similarity NPD6649 Approved
0.6529 Remote Similarity NPD6402 Approved
0.6529 Remote Similarity NPD5739 Approved
0.6529 Remote Similarity NPD7128 Approved
0.6529 Remote Similarity NPD6008 Approved
0.6529 Remote Similarity NPD6675 Approved
0.6462 Remote Similarity NPD6016 Approved
0.6462 Remote Similarity NPD8517 Approved
0.6462 Remote Similarity NPD8516 Approved
0.6462 Remote Similarity NPD8515 Approved
0.6462 Remote Similarity NPD8513 Phase 3
0.6462 Remote Similarity NPD6015 Approved
0.6423 Remote Similarity NPD7320 Approved
0.6423 Remote Similarity NPD6881 Approved
0.6423 Remote Similarity NPD6899 Approved
0.6423 Remote Similarity NPD6686 Approved
0.6417 Remote Similarity NPD8086 Approved
0.6417 Remote Similarity NPD8138 Approved
0.6417 Remote Similarity NPD8082 Approved
0.6417 Remote Similarity NPD8083 Approved
0.6417 Remote Similarity NPD8085 Approved
0.6417 Remote Similarity NPD8139 Approved
0.6417 Remote Similarity NPD8084 Approved
0.6412 Remote Similarity NPD5988 Approved
0.6408 Remote Similarity NPD5777 Approved
0.6408 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6408 Remote Similarity NPD4808 Clinical (unspecified phase)
0.64 Remote Similarity NPD8130 Phase 1
0.6364 Remote Similarity NPD7604 Phase 2
0.6364 Remote Similarity NPD8275 Approved
0.6364 Remote Similarity NPD8276 Approved
0.6341 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6341 Remote Similarity NPD5701 Approved
0.6341 Remote Similarity NPD5697 Approved
0.632 Remote Similarity NPD7290 Approved
0.632 Remote Similarity NPD6883 Approved
0.632 Remote Similarity NPD7102 Approved
0.6311 Remote Similarity NPD4244 Approved
0.6311 Remote Similarity NPD8081 Approved
0.6311 Remote Similarity NPD4245 Approved
0.6311 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6279 Remote Similarity NPD7115 Discovery
0.627 Remote Similarity NPD6847 Approved
0.627 Remote Similarity NPD6617 Approved
0.627 Remote Similarity NPD6869 Approved
0.626 Remote Similarity NPD8393 Approved
0.625 Remote Similarity NPD7520 Clinical (unspecified phase)
0.624 Remote Similarity NPD6012 Approved
0.624 Remote Similarity NPD6014 Approved
0.624 Remote Similarity NPD6013 Approved
0.6214 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6214 Remote Similarity NPD3698 Phase 2
0.6214 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6214 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6212 Remote Similarity NPD5983 Phase 2
0.6186 Remote Similarity NPD7991 Discontinued
0.6176 Remote Similarity NPD6033 Approved
0.616 Remote Similarity NPD6011 Approved
0.6148 Remote Similarity NPD6336 Discontinued
0.6142 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6132 Remote Similarity NPD1811 Approved
0.6132 Remote Similarity NPD1810 Approved
0.6119 Remote Similarity NPD6067 Discontinued
0.6117 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6117 Remote Similarity NPD5360 Phase 3
0.6095 Remote Similarity NPD6081 Approved
0.6083 Remote Similarity NPD7902 Approved
0.6083 Remote Similarity NPD4755 Approved
0.6063 Remote Similarity NPD4634 Approved
0.6055 Remote Similarity NPD4238 Approved
0.6055 Remote Similarity NPD4802 Phase 2
0.6033 Remote Similarity NPD7638 Approved
0.6017 Remote Similarity NPD6399 Phase 3
0.6 Remote Similarity NPD4789 Approved
0.5984 Remote Similarity NPD5285 Approved
0.5984 Remote Similarity NPD7639 Approved
0.5984 Remote Similarity NPD8418 Phase 2
0.5984 Remote Similarity NPD7640 Approved
0.5984 Remote Similarity NPD4700 Approved
0.5984 Remote Similarity NPD4696 Approved
0.5984 Remote Similarity NPD5286 Approved
0.5966 Remote Similarity NPD7748 Approved
0.5954 Remote Similarity NPD6274 Approved
0.5952 Remote Similarity NPD8140 Approved
0.5952 Remote Similarity NPD8307 Discontinued
0.595 Remote Similarity NPD6083 Phase 2
0.595 Remote Similarity NPD6084 Phase 2
0.594 Remote Similarity NPD7100 Approved
0.594 Remote Similarity NPD7101 Approved
0.5922 Remote Similarity NPD4224 Phase 2
0.5906 Remote Similarity NPD7625 Phase 1
0.5891 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5887 Remote Similarity NPD7632 Discontinued
0.5887 Remote Similarity NPD8301 Approved
0.5887 Remote Similarity NPD5225 Approved
0.5887 Remote Similarity NPD5224 Approved
0.5887 Remote Similarity NPD5226 Approved
0.5887 Remote Similarity NPD4633 Approved
0.5887 Remote Similarity NPD5211 Phase 2
0.5887 Remote Similarity NPD8300 Approved
0.5873 Remote Similarity NPD4767 Approved
0.5873 Remote Similarity NPD4768 Approved
0.5865 Remote Similarity NPD6335 Approved
0.5859 Remote Similarity NPD8306 Approved
0.5859 Remote Similarity NPD8305 Approved
0.5856 Remote Similarity NPD7329 Approved
0.5852 Remote Similarity NPD6909 Approved
0.5852 Remote Similarity NPD6908 Approved
0.5849 Remote Similarity NPD2254 Approved
0.5849 Remote Similarity NPD2687 Approved
0.5849 Remote Similarity NPD2686 Approved
0.584 Remote Similarity NPD5175 Approved
0.584 Remote Similarity NPD5174 Approved
0.5833 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5833 Remote Similarity NPD7900 Approved
0.5825 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5814 Remote Similarity NPD8087 Discontinued
0.5806 Remote Similarity NPD5223 Approved
0.5798 Remote Similarity NPD7515 Phase 2
0.5794 Remote Similarity NPD4758 Discontinued
0.5794 Remote Similarity NPD5141 Approved
0.5789 Remote Similarity NPD4788 Approved
0.5789 Remote Similarity NPD6317 Approved
0.5785 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5781 Remote Similarity NPD4729 Approved
0.5781 Remote Similarity NPD4730 Approved
0.5781 Remote Similarity NPD8174 Phase 2
0.5775 Remote Similarity NPD8338 Approved
0.5772 Remote Similarity NPD5696 Approved
0.5766 Remote Similarity NPD5364 Discontinued
0.5766 Remote Similarity NPD3671 Phase 1
0.5763 Remote Similarity NPD5328 Approved
0.5755 Remote Similarity NPD8074 Phase 3
0.575 Remote Similarity NPD4202 Approved
0.5746 Remote Similarity NPD6313 Approved
0.5746 Remote Similarity NPD6314 Approved
0.5735 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5728 Remote Similarity NPD371 Approved
0.5714 Remote Similarity NPD4754 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3360246
ZINC  

Physicochemical Properties

Molecular Weight:  710.39
ALogP:  -2.4732
MLogP:  4.1
XLogP:  1.408
# Rotatable Bonds:  20
Polar Surface Area:  171.97
# H-Bond Aceptor:  13
# H-Bond Donor:  3
# Rings:  7
# Heavy Atoms:  50

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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