Natural Product: NPC15396

Natural Product ID:  NPC15396
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H48O6
Standard InCHIKey:  QAXBLEMBJSUBCG-SXJDHWIHSA-N
Standard InCHI:  InChI=1S/C32H48O6/c1-17(15-33)18(2)27(36)28(37)20(4)26-24(38-21(5)34)14-30(7)25-9-8-22-19(3)23(35)10-11-31(22)16-32(25,31)13-12-29(26,30)6/h17,19-20,22,24-26,28,33,37H,2,8-16H2,1,3-7H3/t17-,19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1
Canonical SMILES:  OC[C@@H](C(=C)C(=O)[C@@H]([C@H]([C@H]1[C@@H](OC(=O)C)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CCC(=O)[C@H]2C)C)C)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
NPO16384 Neoboutonia melleri Species Euphorbiaceae Eukaryota PMID[22206869]
NPO16384 Neoboutonia melleri Species Euphorbiaceae Eukaryota PMID[22168134]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified FC = 77 17958396
NPT2 Others Unspecified FC = 1.2 22938093
NPT2 Others Unspecified FC = 77 12828470
NPT2 Others Unspecified FC = 10 16448174
NPT2 Others Unspecified FC = 10 17850214
NPT2 Others Unspecified FC = 1.2 8289059

  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 NPC15396 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
0.9792 High Similarity NPC310586
0.9495 High Similarity NPC211224
0.9216 High Similarity NPC470281
0.9208 High Similarity NPC258543
0.9208 High Similarity NPC241927
0.91 High Similarity NPC265127
0.9029 High Similarity NPC214797
0.9029 High Similarity NPC118860
0.9029 High Similarity NPC231589
0.8942 High Similarity NPC170487
0.8942 High Similarity NPC71348
0.8911 High Similarity NPC181265
0.89 High Similarity NPC470310
0.8857 High Similarity NPC202889
0.8812 High Similarity NPC235889
0.8763 High Similarity NPC98639
0.8692 High Similarity NPC270958
0.8673 High Similarity NPC200054
0.8673 High Similarity NPC29410
0.8558 High Similarity NPC470269
0.8558 High Similarity NPC94529
0.8532 High Similarity NPC118638
0.8529 High Similarity NPC87927
0.8529 High Similarity NPC221421
0.8515 High Similarity NPC52899
0.8515 High Similarity NPC289148
0.8515 High Similarity NPC163963
0.85 High Similarity NPC28864
0.85 High Similarity NPC20479
0.85 High Similarity NPC38296
0.85 High Similarity NPC98837
0.85 High Similarity NPC471038
0.85 High Similarity NPC162459
0.85 High Similarity NPC38471
0.8447 Intermediate Similarity NPC47281
0.8447 Intermediate Similarity NPC29705
0.8431 Intermediate Similarity NPC308351
0.8431 Intermediate Similarity NPC76866
0.8431 Intermediate Similarity NPC214946
0.8431 Intermediate Similarity NPC148628
0.8431 Intermediate Similarity NPC286519
0.8431 Intermediate Similarity NPC88203
0.8431 Intermediate Similarity NPC246736
0.8431 Intermediate Similarity NPC304832
0.8431 Intermediate Similarity NPC271266
0.8416 Intermediate Similarity NPC293866
0.8416 Intermediate Similarity NPC287676
0.84 Intermediate Similarity NPC10864
0.8367 Intermediate Similarity NPC294263
0.8365 Intermediate Similarity NPC231530
0.8365 Intermediate Similarity NPC50535
0.8365 Intermediate Similarity NPC196528
0.8365 Intermediate Similarity NPC28791
0.8365 Intermediate Similarity NPC278628
0.835 Intermediate Similarity NPC469985
0.8333 Intermediate Similarity NPC252614
0.8333 Intermediate Similarity NPC121218
0.8333 Intermediate Similarity NPC46848
0.8333 Intermediate Similarity NPC253886
0.8317 Intermediate Similarity NPC78427
0.8317 Intermediate Similarity NPC89099
0.8317 Intermediate Similarity NPC16911
0.8302 Intermediate Similarity NPC304495
0.83 Intermediate Similarity NPC329910
0.83 Intermediate Similarity NPC13949
0.83 Intermediate Similarity NPC42042
0.83 Intermediate Similarity NPC219353
0.83 Intermediate Similarity NPC234564
0.8286 Intermediate Similarity NPC201908
0.8286 Intermediate Similarity NPC176949
0.8286 Intermediate Similarity NPC251824
0.8286 Intermediate Similarity NPC86852
0.8269 Intermediate Similarity NPC98603
0.8265 Intermediate Similarity NPC250753
0.8252 Intermediate Similarity NPC170615
0.8252 Intermediate Similarity NPC275990
0.8235 Intermediate Similarity NPC94906
0.8235 Intermediate Similarity NPC218383
0.8224 Intermediate Similarity NPC197428
0.8208 Intermediate Similarity NPC112895
0.8208 Intermediate Similarity NPC231278
0.8208 Intermediate Similarity NPC218123
0.82 Intermediate Similarity NPC470232
0.82 Intermediate Similarity NPC470229
0.82 Intermediate Similarity NPC469599
0.82 Intermediate Similarity NPC210214
0.8191 Intermediate Similarity NPC245866
0.819 Intermediate Similarity NPC470267
0.819 Intermediate Similarity NPC37600
0.8182 Intermediate Similarity NPC148458
0.8182 Intermediate Similarity NPC244356
0.8182 Intermediate Similarity NPC206810
0.8182 Intermediate Similarity NPC224060
0.8173 Intermediate Similarity NPC277074
0.8173 Intermediate Similarity NPC140723
0.8173 Intermediate Similarity NPC122811
0.8173 Intermediate Similarity NPC216114
0.8173 Intermediate Similarity NPC209298
0.8155 Intermediate Similarity NPC75941
0.8155 Intermediate Similarity NPC71706
0.8137 Intermediate Similarity NPC472028
0.8137 Intermediate Similarity NPC474793
0.8125 Intermediate Similarity NPC70661
0.8125 Intermediate Similarity NPC471042
0.8119 Intermediate Similarity NPC104568
0.8108 Intermediate Similarity NPC239273
0.81 Intermediate Similarity NPC475118
0.81 Intermediate Similarity NPC470386
0.81 Intermediate Similarity NPC191094
0.81 Intermediate Similarity NPC272635
0.81 Intermediate Similarity NPC47853
0.81 Intermediate Similarity NPC470385
0.81 Intermediate Similarity NPC302008
0.81 Intermediate Similarity NPC169751
0.8095 Intermediate Similarity NPC84928
0.8095 Intermediate Similarity NPC96268
0.8095 Intermediate Similarity NPC301787
0.8081 Intermediate Similarity NPC154101
0.8081 Intermediate Similarity NPC211403
0.8081 Intermediate Similarity NPC198242
0.8081 Intermediate Similarity NPC476168
0.8077 Intermediate Similarity NPC124544
0.8073 Intermediate Similarity NPC280782
0.8073 Intermediate Similarity NPC475524
0.8073 Intermediate Similarity NPC100267
0.8058 Intermediate Similarity NPC470388
0.8058 Intermediate Similarity NPC15390
0.8058 Intermediate Similarity NPC267921
0.8058 Intermediate Similarity NPC293890
0.8041 Intermediate Similarity NPC153604
0.8041 Intermediate Similarity NPC134197
0.8037 Intermediate Similarity NPC273155
0.802 Intermediate Similarity NPC84018
0.802 Intermediate Similarity NPC138245
0.802 Intermediate Similarity NPC288906
0.802 Intermediate Similarity NPC263135
0.802 Intermediate Similarity NPC231060
0.8019 Intermediate Similarity NPC295366
0.8019 Intermediate Similarity NPC474101
0.8019 Intermediate Similarity NPC475571
0.8019 Intermediate Similarity NPC222833
0.8019 Intermediate Similarity NPC138908
0.8019 Intermediate Similarity NPC200957
0.8019 Intermediate Similarity NPC470309
0.8 Intermediate Similarity NPC159442
0.8 Intermediate Similarity NPC139347
0.8 Intermediate Similarity NPC181594
0.8 Intermediate Similarity NPC144739
0.7982 Intermediate Similarity NPC43775
0.7982 Intermediate Similarity NPC329953
0.7981 Intermediate Similarity NPC471790
0.7981 Intermediate Similarity NPC236585
0.7981 Intermediate Similarity NPC474327
0.7981 Intermediate Similarity NPC295276
0.798 Intermediate Similarity NPC100313
0.798 Intermediate Similarity NPC80401
0.7961 Intermediate Similarity NPC26270
0.7959 Intermediate Similarity NPC56413
0.7944 Intermediate Similarity NPC475294
0.7944 Intermediate Similarity NPC44063
0.7944 Intermediate Similarity NPC166993
0.7941 Intermediate Similarity NPC49371
0.7941 Intermediate Similarity NPC470387
0.7938 Intermediate Similarity NPC80590
0.7938 Intermediate Similarity NPC472505
0.7928 Intermediate Similarity NPC300051
0.7925 Intermediate Similarity NPC255309
0.7925 Intermediate Similarity NPC474558
0.7925 Intermediate Similarity NPC137657
0.7925 Intermediate Similarity NPC13149
0.7925 Intermediate Similarity NPC202793
0.7921 Intermediate Similarity NPC104371
0.7921 Intermediate Similarity NPC129004
0.7921 Intermediate Similarity NPC470423
0.7921 Intermediate Similarity NPC111524
0.7921 Intermediate Similarity NPC101233
0.7921 Intermediate Similarity NPC289539
0.7921 Intermediate Similarity NPC91772
0.7921 Intermediate Similarity NPC153775
0.7921 Intermediate Similarity NPC215271
0.7921 Intermediate Similarity NPC280804
0.7921 Intermediate Similarity NPC261333
0.7921 Intermediate Similarity NPC303863
0.7921 Intermediate Similarity NPC292374
0.7921 Intermediate Similarity NPC29247
0.7917 Intermediate Similarity NPC263974
0.7909 Intermediate Similarity NPC221144
0.7905 Intermediate Similarity NPC56498
0.7905 Intermediate Similarity NPC477054
0.7905 Intermediate Similarity NPC193934
0.7905 Intermediate Similarity NPC309388
0.7905 Intermediate Similarity NPC271980
0.7905 Intermediate Similarity NPC136289
0.7905 Intermediate Similarity NPC473928
0.7905 Intermediate Similarity NPC272472
0.7905 Intermediate Similarity NPC475803
0.79 Intermediate Similarity NPC470230
0.79 Intermediate Similarity NPC52756
0.79 Intermediate Similarity NPC198054
0.79 Intermediate Similarity NPC299185

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC15396 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
0.8037 Intermediate Similarity NPD6899 Approved
0.8037 Intermediate Similarity NPD6881 Approved
0.8019 Intermediate Similarity NPD7128 Approved
0.8019 Intermediate Similarity NPD5739 Approved
0.8019 Intermediate Similarity NPD6675 Approved
0.8019 Intermediate Similarity NPD6402 Approved
0.7982 Intermediate Similarity NPD6649 Approved
0.7982 Intermediate Similarity NPD8130 Phase 1
0.7982 Intermediate Similarity NPD6650 Approved
0.7963 Intermediate Similarity NPD6373 Approved
0.7963 Intermediate Similarity NPD6372 Approved
0.7944 Intermediate Similarity NPD5697 Approved
0.7909 Intermediate Similarity NPD8297 Approved
0.79 Intermediate Similarity NPD8035 Phase 2
0.79 Intermediate Similarity NPD8034 Phase 2
0.789 Intermediate Similarity NPD7102 Approved
0.789 Intermediate Similarity NPD6883 Approved
0.789 Intermediate Similarity NPD7290 Approved
0.787 Intermediate Similarity NPD6011 Approved
0.787 Intermediate Similarity NPD7320 Approved
0.7864 Intermediate Similarity NPD6084 Phase 2
0.7864 Intermediate Similarity NPD6083 Phase 2
0.7822 Intermediate Similarity NPD6399 Phase 3
0.7818 Intermediate Similarity NPD6869 Approved
0.7818 Intermediate Similarity NPD6617 Approved
0.7818 Intermediate Similarity NPD6847 Approved
0.7812 Intermediate Similarity NPD4788 Approved
0.7798 Intermediate Similarity NPD6012 Approved
0.7798 Intermediate Similarity NPD6013 Approved
0.7798 Intermediate Similarity NPD6014 Approved
0.7778 Intermediate Similarity NPD5701 Approved
0.7748 Intermediate Similarity NPD6882 Approved
0.7692 Intermediate Similarity NPD7604 Phase 2
0.7685 Intermediate Similarity NPD6008 Approved
0.7679 Intermediate Similarity NPD4632 Approved
0.7658 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD5696 Approved
0.7547 Intermediate Similarity NPD4696 Approved
0.7547 Intermediate Similarity NPD5285 Approved
0.7547 Intermediate Similarity NPD5286 Approved
0.7524 Intermediate Similarity NPD4755 Approved
0.75 Intermediate Similarity NPD5695 Phase 3
0.7478 Intermediate Similarity NPD6009 Approved
0.7477 Intermediate Similarity NPD5223 Approved
0.7475 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD7736 Approved
0.7436 Intermediate Similarity NPD6319 Approved
0.7426 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD5737 Approved
0.7426 Intermediate Similarity NPD6672 Approved
0.7414 Intermediate Similarity NPD6335 Approved
0.7407 Intermediate Similarity NPD5225 Approved
0.7407 Intermediate Similarity NPD5226 Approved
0.7407 Intermediate Similarity NPD5211 Phase 2
0.7407 Intermediate Similarity NPD4633 Approved
0.7407 Intermediate Similarity NPD5224 Approved
0.74 Intermediate Similarity NPD6684 Approved
0.74 Intermediate Similarity NPD7334 Approved
0.74 Intermediate Similarity NPD7146 Approved
0.74 Intermediate Similarity NPD7521 Approved
0.74 Intermediate Similarity NPD6409 Approved
0.74 Intermediate Similarity NPD5330 Approved
0.7391 Intermediate Similarity NPD6274 Approved
0.7383 Intermediate Similarity NPD4700 Approved
0.7373 Intermediate Similarity NPD5983 Phase 2
0.7353 Intermediate Similarity NPD6904 Approved
0.7353 Intermediate Similarity NPD6080 Approved
0.7353 Intermediate Similarity NPD4753 Phase 2
0.7353 Intermediate Similarity NPD6673 Approved
0.735 Intermediate Similarity NPD7100 Approved
0.735 Intermediate Similarity NPD7101 Approved
0.7339 Intermediate Similarity NPD5174 Approved
0.7339 Intermediate Similarity NPD5175 Approved
0.7333 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7492 Approved
0.7333 Intermediate Similarity NPD5210 Approved
0.7333 Intermediate Similarity NPD4629 Approved
0.7328 Intermediate Similarity NPD6317 Approved
0.729 Intermediate Similarity NPD7638 Approved
0.7288 Intermediate Similarity NPD6054 Approved
0.7273 Intermediate Similarity NPD6336 Discontinued
0.7273 Intermediate Similarity NPD6616 Approved
0.7273 Intermediate Similarity NPD5141 Approved
0.7265 Intermediate Similarity NPD6313 Approved
0.7265 Intermediate Similarity NPD6314 Approved
0.7264 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD5222 Approved
0.7264 Intermediate Similarity NPD4697 Phase 3
0.7264 Intermediate Similarity NPD5221 Approved
0.7257 Intermediate Similarity NPD4634 Approved
0.7255 Intermediate Similarity NPD6903 Approved
0.7228 Intermediate Similarity NPD6098 Approved
0.7227 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7640 Approved
0.7222 Intermediate Similarity NPD7639 Approved
0.7213 Intermediate Similarity NPD7078 Approved
0.7213 Intermediate Similarity NPD8293 Discontinued
0.7212 Intermediate Similarity NPD6079 Approved
0.72 Intermediate Similarity NPD3665 Phase 1
0.72 Intermediate Similarity NPD3133 Approved
0.72 Intermediate Similarity NPD3666 Approved
0.72 Intermediate Similarity NPD4786 Approved
0.7196 Intermediate Similarity NPD5173 Approved
0.7196 Intermediate Similarity NPD7902 Approved
0.7184 Intermediate Similarity NPD5328 Approved
0.7182 Intermediate Similarity NPD4754 Approved
0.7167 Intermediate Similarity NPD6370 Approved
0.7143 Intermediate Similarity NPD6412 Phase 2
0.7143 Intermediate Similarity NPD6059 Approved
0.7129 Intermediate Similarity NPD5329 Approved
0.7113 Intermediate Similarity NPD6115 Approved
0.7113 Intermediate Similarity NPD6114 Approved
0.7113 Intermediate Similarity NPD6697 Approved
0.7113 Intermediate Similarity NPD6118 Approved
0.7094 Intermediate Similarity NPD6868 Approved
0.7083 Intermediate Similarity NPD6908 Approved
0.7083 Intermediate Similarity NPD6016 Approved
0.7083 Intermediate Similarity NPD6015 Approved
0.7083 Intermediate Similarity NPD6909 Approved
0.708 Intermediate Similarity NPD5128 Approved
0.708 Intermediate Similarity NPD4730 Approved
0.708 Intermediate Similarity NPD4729 Approved
0.7075 Intermediate Similarity NPD7748 Approved
0.7054 Intermediate Similarity NPD4768 Approved
0.7054 Intermediate Similarity NPD4767 Approved
0.7048 Intermediate Similarity NPD5693 Phase 1
0.7048 Intermediate Similarity NPD5284 Approved
0.7048 Intermediate Similarity NPD5281 Approved
0.7048 Intermediate Similarity NPD6050 Approved
0.703 Intermediate Similarity NPD4197 Approved
0.7025 Intermediate Similarity NPD5988 Approved
0.7021 Intermediate Similarity NPD5777 Approved
0.701 Intermediate Similarity NPD6116 Phase 1
0.7 Intermediate Similarity NPD3667 Approved
0.6983 Remote Similarity NPD6053 Discontinued
0.6981 Remote Similarity NPD4202 Approved
0.6979 Remote Similarity NPD3702 Approved
0.6957 Remote Similarity NPD5251 Approved
0.6957 Remote Similarity NPD5169 Approved
0.6957 Remote Similarity NPD5250 Approved
0.6957 Remote Similarity NPD5249 Phase 3
0.6957 Remote Similarity NPD5248 Approved
0.6957 Remote Similarity NPD5247 Approved
0.6957 Remote Similarity NPD5135 Approved
0.6957 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5692 Phase 3
0.693 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8133 Approved
0.6916 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6916 Remote Similarity NPD7900 Approved
0.6916 Remote Similarity NPD6001 Approved
0.6915 Remote Similarity NPD4245 Approved
0.6915 Remote Similarity NPD4789 Approved
0.6915 Remote Similarity NPD4244 Approved
0.6907 Remote Similarity NPD6117 Approved
0.6897 Remote Similarity NPD5127 Approved
0.6897 Remote Similarity NPD5216 Approved
0.6897 Remote Similarity NPD5215 Approved
0.6897 Remote Similarity NPD5217 Approved
0.6893 Remote Similarity NPD5690 Phase 2
0.6893 Remote Similarity NPD3618 Phase 1
0.6893 Remote Similarity NPD5279 Phase 3
0.6891 Remote Similarity NPD7115 Discovery
0.6887 Remote Similarity NPD7515 Phase 2
0.6887 Remote Similarity NPD5694 Approved
0.6875 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6855 Remote Similarity NPD7507 Approved
0.6832 Remote Similarity NPD6435 Approved
0.6832 Remote Similarity NPD4221 Approved
0.6832 Remote Similarity NPD4223 Phase 3
0.6829 Remote Similarity NPD8328 Phase 3
0.6809 Remote Similarity NPD3698 Phase 2
0.6804 Remote Similarity NPD3703 Phase 2
0.6786 Remote Similarity NPD7632 Discontinued
0.6762 Remote Similarity NPD5208 Approved
0.675 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6746 Remote Similarity NPD6033 Approved
0.6731 Remote Similarity NPD4694 Approved
0.6731 Remote Similarity NPD5280 Approved
0.6727 Remote Similarity NPD5959 Approved
0.6723 Remote Similarity NPD5167 Approved
0.6698 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6614 Approved
0.6693 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD6081 Approved
0.6667 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6371 Approved
0.6638 Remote Similarity NPD6686 Approved
0.6638 Remote Similarity NPD5168 Approved
0.6636 Remote Similarity NPD5785 Approved
0.6636 Remote Similarity NPD5207 Approved
0.6634 Remote Similarity NPD5368 Approved
0.6634 Remote Similarity NPD4695 Discontinued
0.66 Remote Similarity NPD3617 Approved
0.6574 Remote Similarity NPD6411 Approved
0.6574 Remote Similarity NPD7637 Suspended
0.6571 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6571 Remote Similarity NPD4690 Approved

Structure

External Identifiers

PubChem CID   57331838
ChEMBL   CHEMBL1941154
ZINC  

Physicochemical Properties

Molecular Weight:  528.35
ALogP:  0.2053
MLogP:  4.32
XLogP:  5.71
# Rotatable Bonds:  16
Polar Surface Area:  100.9
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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