Natural Product: NPC475357

Natural Product ID:  NPC475357
Common Name:   Namonin E
IUPAC Name:  
Synonyms:   Namonin E
Molecular Formula:   C51H80O22
Standard InCHIKey:  JNGDBBPABQCYEV-PCTXRTDQSA-N
Standard InCHI:  InChI=1S/C51H80O22/c1-20(17-64-46-42(62)40(60)38(58)32(16-52)70-46)7-10-30-21(2)35-31(69-30)15-28-26-9-8-24-13-25(54)14-34(51(24,6)27(26)11-12-50(28,35)5)71-49-45(73-48-43(63)39(59)36(56)22(3)67-48)44(33(19-66-49)68-23(4)53)72-47-41(61)37(57)29(55)18-65-47/h8,20,22,25-29,31-49,52,54-63H,7,9-19H2,1-6H3/t20-,22+,25-,26-,27+,28+,29-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,45-,46-,47+,48+,49+,50+,51+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC[C@@H](CCC2=C(C)[C@H]3[C@@H](O2)C[C@@H]2[C@]3(C)CC[C@H]3[C@H]2CC=C2[C@]3(C)[C@@H](C[C@@H](C2)O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)OC(=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
NPO8452 Dracaena angustifolia Species Asparagaceae Eukaryota roots and rhizomes PMID[11575942]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 21800 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 100000 nM 18980381

  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 NPC475357 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
0.9633 High Similarity NPC63609
0.9545 High Similarity NPC477807
0.9375 High Similarity NPC195560
0.9375 High Similarity NPC229962
0.9364 High Similarity NPC477808
0.9358 High Similarity NPC308140
0.9292 High Similarity NPC233391
0.9292 High Similarity NPC50689
0.9292 High Similarity NPC207243
0.9292 High Similarity NPC198325
0.9279 High Similarity NPC477031
0.9279 High Similarity NPC148965
0.9273 High Similarity NPC476546
0.9266 High Similarity NPC475247
0.9266 High Similarity NPC294129
0.9266 High Similarity NPC470748
0.9204 High Similarity NPC473633
0.9204 High Similarity NPC476085
0.9189 High Similarity NPC208832
0.9167 High Similarity NPC295980
0.913 High Similarity NPC43842
0.9123 High Similarity NPC473566
0.9123 High Similarity NPC475358
0.9115 High Similarity NPC160888
0.9115 High Similarity NPC475403
0.9091 High Similarity NPC114188
0.9083 High Similarity NPC309278
0.9083 High Similarity NPC84956
0.9083 High Similarity NPC475333
0.9083 High Similarity NPC477809
0.9083 High Similarity NPC194207
0.9083 High Similarity NPC477026
0.9083 High Similarity NPC46190
0.9083 High Similarity NPC70204
0.9083 High Similarity NPC475550
0.9083 High Similarity NPC6806
0.9083 High Similarity NPC475670
0.9083 High Similarity NPC249265
0.9083 High Similarity NPC470433
0.9083 High Similarity NPC22779
0.9083 High Similarity NPC224098
0.9083 High Similarity NPC208383
0.9083 High Similarity NPC232054
0.9083 High Similarity NPC218571
0.9083 High Similarity NPC248746
0.9083 High Similarity NPC300557
0.9083 High Similarity NPC73243
0.9083 High Similarity NPC477027
0.9083 High Similarity NPC102016
0.9083 High Similarity NPC244086
0.9083 High Similarity NPC171073
0.9083 High Similarity NPC150372
0.9083 High Similarity NPC95051
0.9083 High Similarity NPC306131
0.9074 High Similarity NPC94272
0.9052 High Similarity NPC202261
0.9052 High Similarity NPC257207
0.9052 High Similarity NPC106589
0.9052 High Similarity NPC295133
0.9018 High Similarity NPC11548
0.9 High Similarity NPC477811
0.9 High Similarity NPC222202
0.9 High Similarity NPC269297
0.9 High Similarity NPC87998
0.9 High Similarity NPC23808
0.9 High Similarity NPC224314
0.8991 High Similarity NPC476541
0.8991 High Similarity NPC476540
0.8991 High Similarity NPC476539
0.8991 High Similarity NPC476538
0.8991 High Similarity NPC98696
0.8981 High Similarity NPC473923
0.8981 High Similarity NPC473476
0.8938 High Similarity NPC146652
0.8938 High Similarity NPC477030
0.8938 High Similarity NPC477029
0.8929 High Similarity NPC144068
0.8919 High Similarity NPC477032
0.8919 High Similarity NPC13193
0.8919 High Similarity NPC124677
0.8919 High Similarity NPC477028
0.8919 High Similarity NPC476547
0.8899 High Similarity NPC305423
0.8899 High Similarity NPC470432
0.8899 High Similarity NPC283829
0.8899 High Similarity NPC14704
0.8899 High Similarity NPC230507
0.8899 High Similarity NPC113044
0.8899 High Similarity NPC161676
0.8889 High Similarity NPC308262
0.8889 High Similarity NPC208193
0.8889 High Similarity NPC476542
0.8889 High Similarity NPC117445
0.885 High Similarity NPC477810
0.8839 High Similarity NPC244431
0.8839 High Similarity NPC42171
0.8839 High Similarity NPC31896
0.8839 High Similarity NPC210569
0.8839 High Similarity NPC112274
0.8839 High Similarity NPC263359
0.8839 High Similarity NPC32361
0.8829 High Similarity NPC247037
0.8818 High Similarity NPC128123
0.8807 High Similarity NPC242748
0.8807 High Similarity NPC181845
0.8807 High Similarity NPC309448
0.8803 High Similarity NPC474423
0.8803 High Similarity NPC475431
0.8803 High Similarity NPC74259
0.8761 High Similarity NPC79900
0.8761 High Similarity NPC51154
0.875 High Similarity NPC92710
0.875 High Similarity NPC65167
0.875 High Similarity NPC197231
0.875 High Similarity NPC13190
0.8739 High Similarity NPC302057
0.8739 High Similarity NPC42482
0.8739 High Similarity NPC40440
0.8729 High Similarity NPC256983
0.8727 High Similarity NPC190395
0.8727 High Similarity NPC226642
0.8727 High Similarity NPC234160
0.8727 High Similarity NPC473469
0.8718 High Similarity NPC314535
0.8718 High Similarity NPC475419
0.8718 High Similarity NPC475182
0.8718 High Similarity NPC474908
0.8718 High Similarity NPC120390
0.8718 High Similarity NPC173555
0.8718 High Similarity NPC475590
0.8684 High Similarity NPC32707
0.8684 High Similarity NPC167183
0.8673 High Similarity NPC19888
0.8673 High Similarity NPC254255
0.8661 High Similarity NPC141433
0.8649 High Similarity NPC472988
0.8649 High Similarity NPC38217
0.8644 High Similarity NPC264336
0.8644 High Similarity NPC193893
0.8636 High Similarity NPC474569
0.8632 High Similarity NPC72260
0.8632 High Similarity NPC475629
0.8632 High Similarity NPC475556
0.8632 High Similarity NPC107607
0.8621 High Similarity NPC218093
0.8609 High Similarity NPC279638
0.8609 High Similarity NPC212660
0.8596 High Similarity NPC476693
0.8596 High Similarity NPC307642
0.8571 High Similarity NPC154085
0.8571 High Similarity NPC125361
0.8571 High Similarity NPC160084
0.8571 High Similarity NPC51925
0.8571 High Similarity NPC43976
0.8571 High Similarity NPC296761
0.8559 High Similarity NPC63368
0.8559 High Similarity NPC475219
0.8559 High Similarity NPC476543
0.8559 High Similarity NPC476545
0.8559 High Similarity NPC182900
0.8559 High Similarity NPC14946
0.8559 High Similarity NPC208650
0.8559 High Similarity NPC231518
0.8559 High Similarity NPC476544
0.8559 High Similarity NPC249553
0.8547 High Similarity NPC30483
0.8547 High Similarity NPC291820
0.8547 High Similarity NPC470897
0.8547 High Similarity NPC81222
0.8547 High Similarity NPC236973
0.8547 High Similarity NPC32177
0.8547 High Similarity NPC469756
0.8547 High Similarity NPC292467
0.8547 High Similarity NPC55532
0.8545 High Similarity NPC187400
0.8545 High Similarity NPC221562
0.8545 High Similarity NPC470885
0.8534 High Similarity NPC203862
0.8532 High Similarity NPC272015
0.8532 High Similarity NPC154452
0.8522 High Similarity NPC473882
0.85 High Similarity NPC473474
0.85 High Similarity NPC248202
0.8487 Intermediate Similarity NPC15918
0.8487 Intermediate Similarity NPC94072
0.8487 Intermediate Similarity NPC305771
0.8487 Intermediate Similarity NPC156789
0.8487 Intermediate Similarity NPC169816
0.8482 Intermediate Similarity NPC159005
0.8482 Intermediate Similarity NPC246124
0.8482 Intermediate Similarity NPC220427
0.8482 Intermediate Similarity NPC6931
0.8482 Intermediate Similarity NPC180183
0.8482 Intermediate Similarity NPC7213
0.8475 Intermediate Similarity NPC475136
0.8475 Intermediate Similarity NPC474466
0.8468 Intermediate Similarity NPC208477
0.8468 Intermediate Similarity NPC69737
0.8468 Intermediate Similarity NPC473199
0.8468 Intermediate Similarity NPC208594

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475357 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
0.8718 High Similarity NPD8335 Approved
0.8718 High Similarity NPD8380 Approved
0.8718 High Similarity NPD8378 Approved
0.8718 High Similarity NPD8379 Approved
0.8718 High Similarity NPD8296 Approved
0.8632 High Similarity NPD8294 Approved
0.8632 High Similarity NPD8377 Approved
0.8559 High Similarity NPD8033 Approved
0.8305 Intermediate Similarity NPD7328 Approved
0.8305 Intermediate Similarity NPD7327 Approved
0.8235 Intermediate Similarity NPD7516 Approved
0.8099 Intermediate Similarity NPD7503 Approved
0.7815 Intermediate Similarity NPD8133 Approved
0.7759 Intermediate Similarity NPD6412 Phase 2
0.7698 Intermediate Similarity NPD7507 Approved
0.7656 Intermediate Similarity NPD7319 Approved
0.7557 Intermediate Similarity NPD8450 Suspended
0.7481 Intermediate Similarity NPD8449 Approved
0.7479 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD8171 Discontinued
0.7402 Intermediate Similarity NPD8328 Phase 3
0.7339 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD7736 Approved
0.725 Intermediate Similarity NPD6686 Approved
0.7231 Intermediate Similarity NPD8293 Discontinued
0.7143 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD6370 Approved
0.6977 Remote Similarity NPD8516 Approved
0.6977 Remote Similarity NPD8517 Approved
0.6977 Remote Similarity NPD8515 Approved
0.6947 Remote Similarity NPD7492 Approved
0.6899 Remote Similarity NPD6054 Approved
0.6899 Remote Similarity NPD6059 Approved
0.6894 Remote Similarity NPD6616 Approved
0.688 Remote Similarity NPD8297 Approved
0.688 Remote Similarity NPD6882 Approved
0.6846 Remote Similarity NPD8513 Phase 3
0.6842 Remote Similarity NPD7078 Approved
0.6806 Remote Similarity NPD7625 Phase 1
0.6797 Remote Similarity NPD6009 Approved
0.6769 Remote Similarity NPD6319 Approved
0.6742 Remote Similarity NPD6067 Discontinued
0.6724 Remote Similarity NPD6399 Phase 3
0.6723 Remote Similarity NPD7638 Approved
0.6718 Remote Similarity NPD6015 Approved
0.6718 Remote Similarity NPD6016 Approved
0.6694 Remote Similarity NPD7320 Approved
0.6693 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD5988 Approved
0.6667 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD6402 Approved
0.664 Remote Similarity NPD6372 Approved
0.664 Remote Similarity NPD6373 Approved
0.6579 Remote Similarity NPD7524 Approved
0.656 Remote Similarity NPD6881 Approved
0.656 Remote Similarity NPD6899 Approved
0.6535 Remote Similarity NPD8130 Phase 1
0.6535 Remote Similarity NPD6650 Approved
0.6535 Remote Similarity NPD6649 Approved
0.6532 Remote Similarity NPD6008 Approved
0.65 Remote Similarity NPD6083 Phase 2
0.65 Remote Similarity NPD6084 Phase 2
0.6484 Remote Similarity NPD6053 Discontinued
0.6481 Remote Similarity NPD3701 Clinical (unspecified phase)
0.648 Remote Similarity NPD5701 Approved
0.648 Remote Similarity NPD5697 Approved
0.646 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6457 Remote Similarity NPD6883 Approved
0.6457 Remote Similarity NPD7290 Approved
0.6457 Remote Similarity NPD7102 Approved
0.6423 Remote Similarity NPD6033 Approved
0.6412 Remote Similarity NPD7115 Discovery
0.6406 Remote Similarity NPD6617 Approved
0.6406 Remote Similarity NPD6847 Approved
0.6406 Remote Similarity NPD6869 Approved
0.6396 Remote Similarity NPD6928 Phase 2
0.6396 Remote Similarity NPD7525 Registered
0.6389 Remote Similarity NPD7339 Approved
0.6389 Remote Similarity NPD6942 Approved
0.6387 Remote Similarity NPD7748 Approved
0.6378 Remote Similarity NPD6014 Approved
0.6378 Remote Similarity NPD6012 Approved
0.6378 Remote Similarity NPD6013 Approved
0.6378 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6372 Remote Similarity NPD6695 Phase 3
0.637 Remote Similarity NPD7604 Phase 2
0.6364 Remote Similarity NPD7902 Approved
0.6356 Remote Similarity NPD7637 Suspended
0.6356 Remote Similarity NPD8034 Phase 2
0.6356 Remote Similarity NPD8035 Phase 2
0.6343 Remote Similarity NPD5983 Phase 2
0.6325 Remote Similarity NPD6051 Approved
0.6316 Remote Similarity NPD4786 Approved
0.6306 Remote Similarity NPD7645 Phase 2
0.6299 Remote Similarity NPD6011 Approved
0.6293 Remote Similarity NPD7750 Discontinued
0.6293 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6279 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6336 Discontinued
0.6239 Remote Similarity NPD6903 Approved
0.6239 Remote Similarity NPD7513 Clinical (unspecified phase)
0.623 Remote Similarity NPD4755 Approved
0.6218 Remote Similarity NPD7515 Phase 2
0.6207 Remote Similarity NPD5330 Approved
0.6207 Remote Similarity NPD7521 Approved
0.6207 Remote Similarity NPD6409 Approved
0.6207 Remote Similarity NPD6684 Approved
0.6207 Remote Similarity NPD7146 Approved
0.6207 Remote Similarity NPD7334 Approved
0.6202 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6202 Remote Similarity NPD4634 Approved
0.6198 Remote Similarity NPD5695 Phase 3
0.6187 Remote Similarity NPD8337 Approved
0.6187 Remote Similarity NPD8336 Approved
0.6179 Remote Similarity NPD5696 Approved
0.6179 Remote Similarity NPD4225 Approved
0.6167 Remote Similarity NPD4202 Approved
0.6161 Remote Similarity NPD6929 Approved
0.616 Remote Similarity NPD7632 Discontinued
0.6154 Remote Similarity NPD4250 Approved
0.6154 Remote Similarity NPD4251 Approved
0.614 Remote Similarity NPD3667 Approved
0.6129 Remote Similarity NPD4696 Approved
0.6129 Remote Similarity NPD5286 Approved
0.6129 Remote Similarity NPD5285 Approved
0.6129 Remote Similarity NPD4700 Approved
0.6121 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6116 Remote Similarity NPD7900 Approved
0.6116 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6106 Remote Similarity NPD6930 Phase 2
0.6106 Remote Similarity NPD6931 Approved
0.6099 Remote Similarity NPD5956 Approved
0.609 Remote Similarity NPD6274 Approved
0.608 Remote Similarity NPD4159 Approved
0.608 Remote Similarity NPD5344 Discontinued
0.6074 Remote Similarity NPD7100 Approved
0.6074 Remote Similarity NPD7101 Approved
0.6068 Remote Similarity NPD4249 Approved
0.6066 Remote Similarity NPD6356 Clinical (unspecified phase)
0.605 Remote Similarity NPD4753 Phase 2
0.605 Remote Similarity NPD5328 Approved
0.6048 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6047 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6045 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6933 Approved
0.6034 Remote Similarity NPD3665 Phase 1
0.6034 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6034 Remote Similarity NPD3666 Approved
0.6034 Remote Similarity NPD3133 Approved
0.6032 Remote Similarity NPD5226 Approved
0.6032 Remote Similarity NPD5224 Approved
0.6032 Remote Similarity NPD5211 Phase 2
0.6032 Remote Similarity NPD4633 Approved
0.6032 Remote Similarity NPD5225 Approved
0.6016 Remote Similarity NPD4767 Approved
0.6016 Remote Similarity NPD4768 Approved
0.6014 Remote Similarity NPD8338 Approved
0.6 Remote Similarity NPD4784 Approved
0.6 Remote Similarity NPD6335 Approved
0.6 Remote Similarity NPD4785 Approved
0.6 Remote Similarity NPD8074 Phase 3
0.5985 Remote Similarity NPD6909 Approved
0.5985 Remote Similarity NPD6908 Approved
0.5984 Remote Similarity NPD5174 Approved
0.5984 Remote Similarity NPD5175 Approved
0.5982 Remote Similarity NPD6932 Approved
0.5982 Remote Similarity NPD6925 Approved
0.5982 Remote Similarity NPD5776 Phase 2
0.5969 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5966 Remote Similarity NPD5737 Approved
0.5966 Remote Similarity NPD6672 Approved
0.5963 Remote Similarity NPD4243 Approved
0.5952 Remote Similarity NPD5223 Approved
0.595 Remote Similarity NPD7087 Discontinued
0.595 Remote Similarity NPD6079 Approved
0.5938 Remote Similarity NPD5141 Approved
0.5932 Remote Similarity NPD3618 Phase 1
0.5932 Remote Similarity NPD6098 Approved
0.5929 Remote Similarity NPD7145 Approved
0.5926 Remote Similarity NPD6317 Approved
0.5923 Remote Similarity NPD4730 Approved
0.5923 Remote Similarity NPD4729 Approved
0.5917 Remote Similarity NPD6080 Approved
0.5917 Remote Similarity NPD6673 Approved
0.5917 Remote Similarity NPD6904 Approved
0.5882 Remote Similarity NPD6313 Approved
0.5882 Remote Similarity NPD6314 Approved
0.5877 Remote Similarity NPD4195 Approved
0.5877 Remote Similarity NPD6683 Phase 2
0.587 Remote Similarity NPD8274 Clinical (unspecified phase)
0.587 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5868 Remote Similarity NPD46 Approved
0.5868 Remote Similarity NPD6698 Approved
0.5868 Remote Similarity NPD7838 Discovery
0.5859 Remote Similarity NPD4754 Approved

Structure

External Identifiers

PubChem CID   10964186
ChEMBL   CHEMBL504203
ZINC  

Physicochemical Properties

Molecular Weight:  1044.51
ALogP:  -4.9283
MLogP:  4.65
XLogP:  0.029
# Rotatable Bonds:  32
Polar Surface Area:  331.9
# H-Bond Aceptor:  22
# H-Bond Donor:  11
# Rings:  9
# Heavy Atoms:  73

Download Data

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