Natural Product: NPC476538

Natural Product ID:  NPC476538
Common Name:   Tropeoside A1
IUPAC Name:  
Synonyms:   Tropeoside A1
Molecular Formula:   C39H64O14
Standard InCHIKey:  VBXHRHABBLLODX-VFQSAFIBSA-N
Standard InCHI:  InChI=1S/C39H64O14/c1-17(16-49-35-33(46)31(44)29(42)19(3)50-35)8-11-39(48)18(2)28-25(53-39)14-24-22-7-6-20-12-21(41)13-27(38(20,5)23(22)9-10-37(24,28)4)52-36-34(47)32(45)30(43)26(15-40)51-36/h6,17-19,21-36,40-48H,7-16H2,1-5H3/t17-,18+,19-,21-,22-,23+,24+,25+,26-,27-,28+,29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H]2C[C@H](O)CC3=CC[C@@H]4[C@@H]([C@@]23C)CC[C@]2([C@H]4C[C@H]3[C@@H]2[C@H](C)[C@@](O3)(O)CC[C@H](CO[C@@H]2O[C@H](C)[C@H]([C@@H]([C@@H]2O)O)O)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
NPO4610 Allium atroviolaceum Species Amaryllidaceae Eukaryota bulbs and flowers Semirum (2300 m), Isfhan Provinces, Iran 2002-JUN, 2003 PMID[16499315]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT548 Tissue Ileum Cavia porcellus Inhibition = 50 % 16499315

  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 NPC476538 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 NPC476539
1.0 High Similarity NPC476540
1.0 High Similarity NPC476541
0.99 High Similarity NPC477027
0.99 High Similarity NPC475670
0.99 High Similarity NPC477026
0.99 High Similarity NPC70204
0.99 High Similarity NPC306131
0.9798 High Similarity NPC181845
0.9798 High Similarity NPC473923
0.9798 High Similarity NPC473476
0.9706 High Similarity NPC13190
0.9706 High Similarity NPC475247
0.9706 High Similarity NPC294129
0.97 High Similarity NPC230507
0.97 High Similarity NPC161676
0.97 High Similarity NPC305423
0.97 High Similarity NPC470432
0.97 High Similarity NPC226642
0.97 High Similarity NPC283829
0.97 High Similarity NPC113044
0.97 High Similarity NPC14704
0.9612 High Similarity NPC112274
0.9604 High Similarity NPC98696
0.96 High Similarity NPC242748
0.9519 High Similarity NPC51154
0.9515 High Similarity NPC197231
0.951 High Similarity NPC249265
0.951 High Similarity NPC218571
0.951 High Similarity NPC22779
0.951 High Similarity NPC6806
0.951 High Similarity NPC84956
0.951 High Similarity NPC475333
0.951 High Similarity NPC208383
0.951 High Similarity NPC224098
0.951 High Similarity NPC102016
0.951 High Similarity NPC95051
0.951 High Similarity NPC232054
0.951 High Similarity NPC248746
0.951 High Similarity NPC40440
0.951 High Similarity NPC300557
0.951 High Similarity NPC244086
0.951 High Similarity NPC171073
0.951 High Similarity NPC477809
0.951 High Similarity NPC46190
0.951 High Similarity NPC470433
0.951 High Similarity NPC309278
0.951 High Similarity NPC42482
0.951 High Similarity NPC194207
0.951 High Similarity NPC73243
0.951 High Similarity NPC475550
0.951 High Similarity NPC150372
0.9505 High Similarity NPC473469
0.9429 High Similarity NPC11548
0.9423 High Similarity NPC19888
0.9417 High Similarity NPC224314
0.9417 High Similarity NPC269297
0.9417 High Similarity NPC141433
0.9417 High Similarity NPC222202
0.9417 High Similarity NPC23808
0.9417 High Similarity NPC477811
0.9417 High Similarity NPC87998
0.9417 High Similarity NPC247037
0.9406 High Similarity NPC474569
0.934 High Similarity NPC63609
0.934 High Similarity NPC477029
0.934 High Similarity NPC477030
0.9327 High Similarity NPC477032
0.9327 High Similarity NPC476547
0.9327 High Similarity NPC13193
0.9327 High Similarity NPC124677
0.9327 High Similarity NPC477028
0.932 High Similarity NPC476835
0.9314 High Similarity NPC94272
0.9307 High Similarity NPC470885
0.9307 High Similarity NPC221562
0.9307 High Similarity NPC187400
0.93 High Similarity NPC272015
0.9252 High Similarity NPC477807
0.9245 High Similarity NPC477810
0.9238 High Similarity NPC32361
0.9238 High Similarity NPC210569
0.9238 High Similarity NPC263359
0.9238 High Similarity NPC254255
0.9238 High Similarity NPC31896
0.9238 High Similarity NPC42171
0.9238 High Similarity NPC244431
0.9223 High Similarity NPC295980
0.9223 High Similarity NPC7213
0.9216 High Similarity NPC26798
0.9216 High Similarity NPC309448
0.9167 High Similarity NPC475403
0.9167 High Similarity NPC160888
0.9159 High Similarity NPC148965
0.9151 High Similarity NPC144068
0.9151 High Similarity NPC476693
0.9151 High Similarity NPC79900
0.9143 High Similarity NPC114188
0.9135 High Similarity NPC157530
0.9135 High Similarity NPC14630
0.9135 High Similarity NPC250089
0.9126 High Similarity NPC190395
0.9118 High Similarity NPC475365
0.9109 High Similarity NPC312553
0.9109 High Similarity NPC288694
0.9109 High Similarity NPC159036
0.91 High Similarity NPC282669
0.9091 High Similarity NPC473890
0.9091 High Similarity NPC243728
0.9091 High Similarity NPC177818
0.9083 High Similarity NPC473633
0.9083 High Similarity NPC195560
0.9083 High Similarity NPC229962
0.9083 High Similarity NPC476085
0.9065 High Similarity NPC477808
0.9065 High Similarity NPC32707
0.9065 High Similarity NPC167183
0.9057 High Similarity NPC308140
0.9038 High Similarity NPC220427
0.9029 High Similarity NPC474015
0.902 High Similarity NPC31907
0.902 High Similarity NPC16520
0.902 High Similarity NPC286969
0.902 High Similarity NPC157659
0.902 High Similarity NPC120123
0.902 High Similarity NPC472252
0.902 High Similarity NPC211879
0.902 High Similarity NPC16573
0.902 High Similarity NPC475701
0.902 High Similarity NPC8039
0.902 High Similarity NPC189852
0.902 High Similarity NPC114874
0.902 High Similarity NPC131479
0.902 High Similarity NPC245280
0.902 High Similarity NPC473020
0.902 High Similarity NPC213190
0.902 High Similarity NPC155010
0.9 High Similarity NPC198325
0.9 High Similarity NPC207243
0.9 High Similarity NPC158088
0.9 High Similarity NPC233391
0.9 High Similarity NPC50689
0.8991 High Similarity NPC475357
0.8981 High Similarity NPC477031
0.8972 High Similarity NPC476546
0.8962 High Similarity NPC470748
0.8952 High Similarity NPC302057
0.8932 High Similarity NPC93352
0.8932 High Similarity NPC273879
0.8932 High Similarity NPC75608
0.8932 High Similarity NPC165033
0.8932 High Similarity NPC474464
0.8932 High Similarity NPC475521
0.8922 High Similarity NPC136816
0.8911 High Similarity NPC473200
0.8911 High Similarity NPC7341
0.89 High Similarity NPC76486
0.8889 High Similarity NPC208832
0.8868 High Similarity NPC103627
0.8868 High Similarity NPC170974
0.8868 High Similarity NPC191439
0.8846 High Similarity NPC194842
0.8846 High Similarity NPC152584
0.8846 High Similarity NPC269627
0.8846 High Similarity NPC208477
0.8846 High Similarity NPC127801
0.8846 High Similarity NPC160816
0.8846 High Similarity NPC69737
0.8846 High Similarity NPC208594
0.8839 High Similarity NPC43842
0.8835 High Similarity NPC473198
0.8824 High Similarity NPC47566
0.8824 High Similarity NPC4831
0.8824 High Similarity NPC176406
0.8824 High Similarity NPC309425
0.8824 High Similarity NPC470434
0.8824 High Similarity NPC160734
0.8824 High Similarity NPC88000
0.8824 High Similarity NPC474022
0.8824 High Similarity NPC129372
0.8824 High Similarity NPC267510
0.8824 High Similarity NPC472023
0.8818 High Similarity NPC476692
0.8818 High Similarity NPC476691
0.8812 High Similarity NPC234287
0.8812 High Similarity NPC280825
0.8812 High Similarity NPC216260
0.8812 High Similarity NPC5358
0.8807 High Similarity NPC212660
0.88 High Similarity NPC207617
0.8796 High Similarity NPC476671
0.8796 High Similarity NPC307642
0.8796 High Similarity NPC469348
0.8796 High Similarity NPC469347
0.8774 High Similarity NPC128133
0.8774 High Similarity NPC473328
0.8774 High Similarity NPC473318
0.8774 High Similarity NPC28844
0.8762 High Similarity NPC234160
0.8762 High Similarity NPC63368

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476538 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
0.8421 Intermediate Similarity NPD8296 Approved
0.8421 Intermediate Similarity NPD8378 Approved
0.8421 Intermediate Similarity NPD8033 Approved
0.8421 Intermediate Similarity NPD8379 Approved
0.8421 Intermediate Similarity NPD8335 Approved
0.8421 Intermediate Similarity NPD8380 Approved
0.8333 Intermediate Similarity NPD8377 Approved
0.8333 Intermediate Similarity NPD8294 Approved
0.8158 Intermediate Similarity NPD7327 Approved
0.8158 Intermediate Similarity NPD7328 Approved
0.8137 Intermediate Similarity NPD8171 Discontinued
0.8087 Intermediate Similarity NPD7516 Approved
0.8073 Intermediate Similarity NPD6412 Phase 2
0.7886 Intermediate Similarity NPD8449 Approved
0.7823 Intermediate Similarity NPD8450 Suspended
0.7797 Intermediate Similarity NPD7503 Approved
0.7541 Intermediate Similarity NPD7507 Approved
0.75 Intermediate Similarity NPD8133 Approved
0.75 Intermediate Similarity NPD7319 Approved
0.7456 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD6370 Approved
0.7419 Intermediate Similarity NPD7736 Approved
0.7411 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD8293 Discontinued
0.7311 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6059 Approved
0.7273 Intermediate Similarity NPD6054 Approved
0.7236 Intermediate Similarity NPD8328 Phase 3
0.7143 Intermediate Similarity NPD7524 Approved
0.7129 Intermediate Similarity NPD6928 Phase 2
0.7097 Intermediate Similarity NPD6067 Discontinued
0.7073 Intermediate Similarity NPD6016 Approved
0.7073 Intermediate Similarity NPD6015 Approved
0.7071 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD6686 Approved
0.704 Intermediate Similarity NPD7492 Approved
0.7019 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD5988 Approved
0.6984 Remote Similarity NPD6616 Approved
0.697 Remote Similarity NPD6942 Approved
0.697 Remote Similarity NPD7339 Approved
0.6961 Remote Similarity NPD7525 Registered
0.6929 Remote Similarity NPD7078 Approved
0.6923 Remote Similarity NPD6695 Phase 3
0.6863 Remote Similarity NPD7645 Phase 2
0.6833 Remote Similarity NPD6882 Approved
0.6833 Remote Similarity NPD8297 Approved
0.6822 Remote Similarity NPD7750 Discontinued
0.6822 Remote Similarity NPD4751 Clinical (unspecified phase)
0.68 Remote Similarity NPD8515 Approved
0.68 Remote Similarity NPD8517 Approved
0.68 Remote Similarity NPD8516 Approved
0.68 Remote Similarity NPD8513 Phase 3
0.6748 Remote Similarity NPD6009 Approved
0.6744 Remote Similarity NPD6033 Approved
0.672 Remote Similarity NPD6319 Approved
0.6699 Remote Similarity NPD6929 Approved
0.6667 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6643 Remote Similarity NPD7625 Phase 1
0.6639 Remote Similarity NPD4632 Approved
0.6639 Remote Similarity NPD7320 Approved
0.6635 Remote Similarity NPD6931 Approved
0.6635 Remote Similarity NPD6930 Phase 2
0.661 Remote Similarity NPD6675 Approved
0.661 Remote Similarity NPD5739 Approved
0.661 Remote Similarity NPD6008 Approved
0.661 Remote Similarity NPD6402 Approved
0.661 Remote Similarity NPD7128 Approved
0.6609 Remote Similarity NPD7640 Approved
0.6609 Remote Similarity NPD7639 Approved
0.6583 Remote Similarity NPD6372 Approved
0.6583 Remote Similarity NPD6373 Approved
0.6569 Remote Similarity NPD6933 Approved
0.6542 Remote Similarity NPD4786 Approved
0.6535 Remote Similarity NPD4784 Approved
0.6535 Remote Similarity NPD4785 Approved
0.6505 Remote Similarity NPD6932 Approved
0.6505 Remote Similarity NPD5776 Phase 2
0.6505 Remote Similarity NPD6925 Approved
0.65 Remote Similarity NPD6881 Approved
0.65 Remote Similarity NPD6899 Approved
0.65 Remote Similarity NPD4243 Approved
0.6475 Remote Similarity NPD6650 Approved
0.6475 Remote Similarity NPD8130 Phase 1
0.6475 Remote Similarity NPD6649 Approved
0.6475 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6442 Remote Similarity NPD7145 Approved
0.6435 Remote Similarity NPD4755 Approved
0.6435 Remote Similarity NPD6084 Phase 2
0.6435 Remote Similarity NPD6083 Phase 2
0.6429 Remote Similarity NPD7087 Discontinued
0.6417 Remote Similarity NPD5697 Approved
0.6417 Remote Similarity NPD5701 Approved
0.641 Remote Similarity NPD4159 Approved
0.6404 Remote Similarity NPD7991 Discontinued
0.6393 Remote Similarity NPD4634 Approved
0.6393 Remote Similarity NPD7102 Approved
0.6393 Remote Similarity NPD7290 Approved
0.6393 Remote Similarity NPD6883 Approved
0.6391 Remote Similarity NPD5956 Approved
0.6381 Remote Similarity NPD6683 Phase 2
0.6373 Remote Similarity NPD6926 Approved
0.6373 Remote Similarity NPD6924 Approved
0.6372 Remote Similarity NPD4202 Approved
0.6355 Remote Similarity NPD3667 Approved
0.6349 Remote Similarity NPD7115 Discovery
0.6341 Remote Similarity NPD6847 Approved
0.6341 Remote Similarity NPD6869 Approved
0.6341 Remote Similarity NPD6617 Approved
0.633 Remote Similarity NPD6893 Approved
0.6325 Remote Similarity NPD5285 Approved
0.6325 Remote Similarity NPD4696 Approved
0.6325 Remote Similarity NPD5286 Approved
0.6325 Remote Similarity NPD4700 Approved
0.6321 Remote Similarity NPD7514 Phase 3
0.6321 Remote Similarity NPD4748 Discontinued
0.6316 Remote Similarity NPD7748 Approved
0.6311 Remote Similarity NPD6014 Approved
0.6311 Remote Similarity NPD6012 Approved
0.6311 Remote Similarity NPD6013 Approved
0.6308 Remote Similarity NPD7604 Phase 2
0.6293 Remote Similarity NPD7902 Approved
0.6283 Remote Similarity NPD8035 Phase 2
0.6283 Remote Similarity NPD8034 Phase 2
0.6283 Remote Similarity NPD7637 Suspended
0.6279 Remote Similarity NPD5983 Phase 2
0.6262 Remote Similarity NPD6902 Approved
0.625 Remote Similarity NPD6051 Approved
0.625 Remote Similarity NPD5328 Approved
0.625 Remote Similarity NPD4753 Phase 2
0.6239 Remote Similarity NPD3665 Phase 1
0.6239 Remote Similarity NPD3666 Approved
0.6239 Remote Similarity NPD3133 Approved
0.6239 Remote Similarity NPD4225 Approved
0.623 Remote Similarity NPD6011 Approved
0.6218 Remote Similarity NPD5225 Approved
0.6218 Remote Similarity NPD5224 Approved
0.6218 Remote Similarity NPD5226 Approved
0.6218 Remote Similarity NPD5211 Phase 2
0.6218 Remote Similarity NPD4633 Approved
0.6212 Remote Similarity NPD6336 Discontinued
0.621 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6198 Remote Similarity NPD4768 Approved
0.6198 Remote Similarity NPD4767 Approved
0.6195 Remote Similarity NPD3168 Discontinued
0.6179 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6176 Remote Similarity NPD7150 Approved
0.6176 Remote Similarity NPD7151 Approved
0.6176 Remote Similarity NPD7152 Approved
0.6168 Remote Similarity NPD7332 Phase 2
0.6167 Remote Similarity NPD5175 Approved
0.6167 Remote Similarity NPD5174 Approved
0.6161 Remote Similarity NPD6903 Approved
0.6161 Remote Similarity NPD7513 Clinical (unspecified phase)
0.616 Remote Similarity NPD6053 Discontinued
0.6154 Remote Similarity NPD5275 Approved
0.6154 Remote Similarity NPD4190 Phase 3
0.614 Remote Similarity NPD7515 Phase 2
0.614 Remote Similarity NPD6079 Approved
0.6139 Remote Similarity NPD6923 Approved
0.6139 Remote Similarity NPD6922 Approved
0.6134 Remote Similarity NPD5223 Approved
0.6126 Remote Similarity NPD7521 Approved
0.6126 Remote Similarity NPD5330 Approved
0.6126 Remote Similarity NPD3618 Phase 1
0.6126 Remote Similarity NPD7146 Approved
0.6126 Remote Similarity NPD7334 Approved
0.6126 Remote Similarity NPD6409 Approved
0.6126 Remote Similarity NPD6684 Approved
0.6121 Remote Similarity NPD5695 Phase 3
0.6121 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6119 Remote Similarity NPD8336 Approved
0.6119 Remote Similarity NPD8337 Approved
0.6116 Remote Similarity NPD5141 Approved
0.6111 Remote Similarity NPD6898 Phase 1
0.6102 Remote Similarity NPD5696 Approved
0.6098 Remote Similarity NPD4729 Approved
0.6098 Remote Similarity NPD4730 Approved
0.6083 Remote Similarity NPD7632 Discontinued
0.6078 Remote Similarity NPD7144 Approved
0.6078 Remote Similarity NPD7143 Approved
0.6075 Remote Similarity NPD4195 Approved
0.6058 Remote Similarity NPD1811 Approved
0.6058 Remote Similarity NPD1810 Approved
0.6045 Remote Similarity NPD8074 Phase 3
0.6036 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6034 Remote Similarity NPD7900 Approved
0.6034 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6033 Remote Similarity NPD4754 Approved
0.6019 Remote Similarity NPD7509 Discontinued
0.6016 Remote Similarity NPD6274 Approved
0.6 Remote Similarity NPD7100 Approved
0.6 Remote Similarity NPD5251 Approved
0.6 Remote Similarity NPD5250 Approved
0.6 Remote Similarity NPD7101 Approved
0.6 Remote Similarity NPD5249 Phase 3
0.6 Remote Similarity NPD5248 Approved
0.6 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6 Remote Similarity NPD5247 Approved

Structure

External Identifiers

PubChem CID   44566258
ChEMBL   CHEMBL509836
ZINC  

Physicochemical Properties

Molecular Weight:  756.43
ALogP:  -4.0563
MLogP:  4.21
XLogP:  1.847
# Rotatable Bonds:  23
Polar Surface Area:  228.22
# H-Bond Aceptor:  14
# H-Bond Donor:  9
# Rings:  7
# Heavy Atoms:  53

Download Data

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