Natural Product: NPC211224

Natural Product ID:  NPC211224
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H48O7
Standard InCHIKey:  MRMFZRCRYTVRKF-ANVMCMOUSA-N
Standard InCHI:  InChI=1S/C32H48O7/c1-16(14-33)17(2)27(37)28(38)19(4)26-23(39-20(5)34)13-30(7)24-9-8-21-18(3)22(35)12-25(36)32(21)15-31(24,32)11-10-29(26,30)6/h16,18-19,21,23-26,28,33,36,38H,2,8-15H2,1,3-7H3/t16-,18-,19-,21-,23-,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)[C@@H](O)CC(=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[22168134]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified FC = 1.3 7908950
NPT2 Others Unspecified FC = 74 DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified FC = 1.6 14613317
NPT2 Others Unspecified FC = 11 15104480

  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 NPC211224 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
0.9706 High Similarity NPC470281
0.96 High Similarity NPC265127
0.9495 High Similarity NPC15396
0.94 High Similarity NPC470310
0.9307 High Similarity NPC310586
0.9057 High Similarity NPC71348
0.902 High Similarity NPC87927
0.901 High Similarity NPC289148
0.901 High Similarity NPC163963
0.901 High Similarity NPC52899
0.9 High Similarity NPC471038
0.8972 High Similarity NPC202889
0.8922 High Similarity NPC286519
0.8922 High Similarity NPC148628
0.8922 High Similarity NPC76866
0.8922 High Similarity NPC304832
0.8922 High Similarity NPC214946
0.8922 High Similarity NPC246736
0.8922 High Similarity NPC88203
0.8911 High Similarity NPC287676
0.8889 High Similarity NPC98639
0.8835 High Similarity NPC469985
0.8824 High Similarity NPC46848
0.8812 High Similarity NPC78427
0.8812 High Similarity NPC16911
0.8807 High Similarity NPC270958
0.88 High Similarity NPC200054
0.88 High Similarity NPC13949
0.88 High Similarity NPC234564
0.88 High Similarity NPC29410
0.88 High Similarity NPC329910
0.8774 High Similarity NPC241927
0.8774 High Similarity NPC258543
0.8762 High Similarity NPC201908
0.8762 High Similarity NPC176949
0.875 High Similarity NPC98603
0.8738 High Similarity NPC275990
0.8725 High Similarity NPC94906
0.87 High Similarity NPC470232
0.87 High Similarity NPC470229
0.87 High Similarity NPC210214
0.8679 High Similarity NPC231278
0.8679 High Similarity NPC112895
0.8679 High Similarity NPC94529
0.8679 High Similarity NPC218123
0.8667 High Similarity NPC37600
0.8654 High Similarity NPC216114
0.8654 High Similarity NPC122811
0.8654 High Similarity NPC277074
0.8654 High Similarity NPC209298
0.8649 High Similarity NPC118638
0.8641 High Similarity NPC71706
0.8641 High Similarity NPC75941
0.8627 High Similarity NPC38471
0.8627 High Similarity NPC20479
0.8627 High Similarity NPC162459
0.8627 High Similarity NPC474793
0.8627 High Similarity NPC28864
0.8627 High Similarity NPC472028
0.8627 High Similarity NPC38296
0.8627 High Similarity NPC98837
0.8611 High Similarity NPC214797
0.8611 High Similarity NPC118860
0.8611 High Similarity NPC231589
0.86 High Similarity NPC47853
0.86 High Similarity NPC475118
0.86 High Similarity NPC470386
0.86 High Similarity NPC191094
0.86 High Similarity NPC470385
0.86 High Similarity NPC302008
0.8586 High Similarity NPC211403
0.8586 High Similarity NPC476168
0.8586 High Similarity NPC250753
0.8586 High Similarity NPC198242
0.8571 High Similarity NPC96268
0.8571 High Similarity NPC84928
0.8571 High Similarity NPC47281
0.8571 High Similarity NPC29705
0.8558 High Similarity NPC124544
0.8544 High Similarity NPC470388
0.8544 High Similarity NPC293866
0.8532 High Similarity NPC170487
0.8529 High Similarity NPC10864
0.8515 High Similarity NPC288906
0.8515 High Similarity NPC263135
0.8515 High Similarity NPC138245
0.8515 High Similarity NPC84018
0.8515 High Similarity NPC231060
0.8505 High Similarity NPC273155
0.85 High Similarity NPC144739
0.85 High Similarity NPC294263
0.85 High Similarity NPC181594
0.8491 Intermediate Similarity NPC295366
0.8491 Intermediate Similarity NPC200957
0.8491 Intermediate Similarity NPC50535
0.8491 Intermediate Similarity NPC231530
0.8491 Intermediate Similarity NPC278628
0.8491 Intermediate Similarity NPC181265
0.8491 Intermediate Similarity NPC28791
0.8491 Intermediate Similarity NPC138908
0.8485 Intermediate Similarity NPC80401
0.8476 Intermediate Similarity NPC159442
0.8476 Intermediate Similarity NPC139347
0.8462 Intermediate Similarity NPC252614
0.8462 Intermediate Similarity NPC121218
0.8462 Intermediate Similarity NPC471790
0.8462 Intermediate Similarity NPC253886
0.8462 Intermediate Similarity NPC236585
0.8447 Intermediate Similarity NPC89099
0.844 Intermediate Similarity NPC329953
0.8431 Intermediate Similarity NPC470387
0.8431 Intermediate Similarity NPC219353
0.8416 Intermediate Similarity NPC129004
0.8416 Intermediate Similarity NPC91772
0.8416 Intermediate Similarity NPC215271
0.8416 Intermediate Similarity NPC101233
0.8416 Intermediate Similarity NPC289539
0.8416 Intermediate Similarity NPC292374
0.8416 Intermediate Similarity NPC153775
0.8416 Intermediate Similarity NPC29247
0.8416 Intermediate Similarity NPC261333
0.8416 Intermediate Similarity NPC111524
0.8416 Intermediate Similarity NPC104371
0.8411 Intermediate Similarity NPC166993
0.8411 Intermediate Similarity NPC86852
0.8411 Intermediate Similarity NPC251824
0.84 Intermediate Similarity NPC299185
0.84 Intermediate Similarity NPC470230
0.8396 Intermediate Similarity NPC235889
0.8396 Intermediate Similarity NPC13149
0.8396 Intermediate Similarity NPC202793
0.8396 Intermediate Similarity NPC474558
0.8381 Intermediate Similarity NPC272472
0.8381 Intermediate Similarity NPC475803
0.8381 Intermediate Similarity NPC193934
0.8381 Intermediate Similarity NPC271980
0.8381 Intermediate Similarity NPC170615
0.8381 Intermediate Similarity NPC309388
0.8378 Intermediate Similarity NPC300051
0.8365 Intermediate Similarity NPC267921
0.8365 Intermediate Similarity NPC156324
0.8365 Intermediate Similarity NPC108371
0.8365 Intermediate Similarity NPC180733
0.8365 Intermediate Similarity NPC37047
0.8365 Intermediate Similarity NPC55503
0.8365 Intermediate Similarity NPC41971
0.8349 Intermediate Similarity NPC471093
0.8349 Intermediate Similarity NPC197428
0.8333 Intermediate Similarity NPC205173
0.8333 Intermediate Similarity NPC266431
0.8318 Intermediate Similarity NPC4115
0.8317 Intermediate Similarity NPC244356
0.8317 Intermediate Similarity NPC224060
0.8317 Intermediate Similarity NPC59170
0.8302 Intermediate Similarity NPC266
0.8302 Intermediate Similarity NPC312900
0.8302 Intermediate Similarity NPC96217
0.83 Intermediate Similarity NPC180849
0.83 Intermediate Similarity NPC261994
0.83 Intermediate Similarity NPC470378
0.83 Intermediate Similarity NPC149761
0.8288 Intermediate Similarity NPC52634
0.8288 Intermediate Similarity NPC471252
0.8286 Intermediate Similarity NPC148279
0.8273 Intermediate Similarity NPC29505
0.8273 Intermediate Similarity NPC94650
0.8269 Intermediate Similarity NPC288
0.8269 Intermediate Similarity NPC26270
0.8269 Intermediate Similarity NPC109059
0.8252 Intermediate Similarity NPC135548
0.8252 Intermediate Similarity NPC264979
0.8252 Intermediate Similarity NPC140242
0.8252 Intermediate Similarity NPC104568
0.8241 Intermediate Similarity NPC186054
0.8235 Intermediate Similarity NPC169751
0.8235 Intermediate Similarity NPC272635
0.823 Intermediate Similarity NPC239273
0.8224 Intermediate Similarity NPC301787
0.8218 Intermediate Similarity NPC278106
0.82 Intermediate Similarity NPC471043
0.8198 Intermediate Similarity NPC474927
0.8198 Intermediate Similarity NPC280782
0.8198 Intermediate Similarity NPC476964
0.8198 Intermediate Similarity NPC40608
0.819 Intermediate Similarity NPC293890
0.819 Intermediate Similarity NPC127408
0.819 Intermediate Similarity NPC15390
0.819 Intermediate Similarity NPC291785
0.8182 Intermediate Similarity NPC259009
0.8182 Intermediate Similarity NPC153604
0.8173 Intermediate Similarity NPC469810
0.8173 Intermediate Similarity NPC190080
0.8173 Intermediate Similarity NPC111187
0.8173 Intermediate Similarity NPC253586
0.8165 Intermediate Similarity NPC469733
0.8165 Intermediate Similarity NPC63841
0.8165 Intermediate Similarity NPC469729
0.8165 Intermediate Similarity NPC470269
0.8165 Intermediate Similarity NPC55973
0.8155 Intermediate Similarity NPC29112

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC211224 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
0.8165 Intermediate Similarity NPD6881 Approved
0.8165 Intermediate Similarity NPD6899 Approved
0.8148 Intermediate Similarity NPD6675 Approved
0.8148 Intermediate Similarity NPD7128 Approved
0.8148 Intermediate Similarity NPD6402 Approved
0.8148 Intermediate Similarity NPD5739 Approved
0.8108 Intermediate Similarity NPD6649 Approved
0.8108 Intermediate Similarity NPD8130 Phase 1
0.8108 Intermediate Similarity NPD6650 Approved
0.8091 Intermediate Similarity NPD6372 Approved
0.8091 Intermediate Similarity NPD6373 Approved
0.8073 Intermediate Similarity NPD5697 Approved
0.8039 Intermediate Similarity NPD8034 Phase 2
0.8039 Intermediate Similarity NPD8035 Phase 2
0.8036 Intermediate Similarity NPD8297 Approved
0.8018 Intermediate Similarity NPD7290 Approved
0.8018 Intermediate Similarity NPD6883 Approved
0.8018 Intermediate Similarity NPD7102 Approved
0.8 Intermediate Similarity NPD6011 Approved
0.8 Intermediate Similarity NPD7320 Approved
0.7946 Intermediate Similarity NPD6869 Approved
0.7946 Intermediate Similarity NPD6847 Approved
0.7946 Intermediate Similarity NPD6617 Approved
0.7928 Intermediate Similarity NPD6013 Approved
0.7928 Intermediate Similarity NPD6014 Approved
0.7928 Intermediate Similarity NPD6012 Approved
0.7909 Intermediate Similarity NPD5701 Approved
0.7876 Intermediate Similarity NPD6882 Approved
0.7863 Intermediate Similarity NPD6319 Approved
0.7851 Intermediate Similarity NPD7736 Approved
0.7818 Intermediate Similarity NPD6008 Approved
0.7815 Intermediate Similarity NPD7604 Phase 2
0.7807 Intermediate Similarity NPD4632 Approved
0.7788 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD7492 Approved
0.7712 Intermediate Similarity NPD6054 Approved
0.7699 Intermediate Similarity NPD4634 Approved
0.7686 Intermediate Similarity NPD6616 Approved
0.7685 Intermediate Similarity NPD4696 Approved
0.7685 Intermediate Similarity NPD5286 Approved
0.7685 Intermediate Similarity NPD5285 Approved
0.7664 Intermediate Similarity NPD4755 Approved
0.7624 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7623 Intermediate Similarity NPD8293 Discontinued
0.7623 Intermediate Similarity NPD7078 Approved
0.7619 Intermediate Similarity NPD6399 Phase 3
0.7615 Intermediate Similarity NPD5223 Approved
0.7607 Intermediate Similarity NPD6009 Approved
0.7583 Intermediate Similarity NPD6370 Approved
0.7563 Intermediate Similarity NPD6059 Approved
0.7545 Intermediate Similarity NPD4633 Approved
0.7545 Intermediate Similarity NPD5226 Approved
0.7545 Intermediate Similarity NPD5224 Approved
0.7545 Intermediate Similarity NPD5211 Phase 2
0.7545 Intermediate Similarity NPD5225 Approved
0.7542 Intermediate Similarity NPD6335 Approved
0.7523 Intermediate Similarity NPD4700 Approved
0.7521 Intermediate Similarity NPD6274 Approved
0.75 Intermediate Similarity NPD6084 Phase 2
0.75 Intermediate Similarity NPD6083 Phase 2
0.75 Intermediate Similarity NPD5983 Phase 2
0.75 Intermediate Similarity NPD6016 Approved
0.75 Intermediate Similarity NPD6015 Approved
0.7479 Intermediate Similarity NPD7100 Approved
0.7479 Intermediate Similarity NPD7101 Approved
0.7477 Intermediate Similarity NPD5174 Approved
0.7477 Intermediate Similarity NPD5175 Approved
0.7458 Intermediate Similarity NPD6317 Approved
0.7438 Intermediate Similarity NPD5988 Approved
0.7431 Intermediate Similarity NPD7638 Approved
0.7426 Intermediate Similarity NPD4788 Approved
0.7411 Intermediate Similarity NPD5141 Approved
0.7407 Intermediate Similarity NPD5221 Approved
0.7407 Intermediate Similarity NPD4697 Phase 3
0.7407 Intermediate Similarity NPD5222 Approved
0.7407 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD6336 Discontinued
0.7395 Intermediate Similarity NPD6313 Approved
0.7395 Intermediate Similarity NPD6314 Approved
0.7368 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD7640 Approved
0.7364 Intermediate Similarity NPD7639 Approved
0.7358 Intermediate Similarity NPD6079 Approved
0.7355 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD5173 Approved
0.7339 Intermediate Similarity NPD7902 Approved
0.7333 Intermediate Similarity NPD5328 Approved
0.7321 Intermediate Similarity NPD4754 Approved
0.7315 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD7115 Discovery
0.7273 Intermediate Similarity NPD6114 Approved
0.7273 Intermediate Similarity NPD6697 Approved
0.7273 Intermediate Similarity NPD6118 Approved
0.7273 Intermediate Similarity NPD6115 Approved
0.7273 Intermediate Similarity NPD5696 Approved
0.7236 Intermediate Similarity NPD8328 Phase 3
0.7227 Intermediate Similarity NPD6868 Approved
0.7222 Intermediate Similarity NPD7748 Approved
0.7217 Intermediate Similarity NPD5128 Approved
0.7217 Intermediate Similarity NPD4730 Approved
0.7217 Intermediate Similarity NPD4729 Approved
0.7213 Intermediate Similarity NPD6908 Approved
0.7213 Intermediate Similarity NPD6909 Approved
0.7193 Intermediate Similarity NPD4768 Approved
0.7193 Intermediate Similarity NPD4767 Approved
0.7172 Intermediate Similarity NPD6116 Phase 1
0.7167 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD5695 Phase 3
0.7143 Intermediate Similarity NPD6033 Approved
0.713 Intermediate Similarity NPD4202 Approved
0.7094 Intermediate Similarity NPD5169 Approved
0.7094 Intermediate Similarity NPD5247 Approved
0.7094 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD5250 Approved
0.7094 Intermediate Similarity NPD5135 Approved
0.7094 Intermediate Similarity NPD5248 Approved
0.7094 Intermediate Similarity NPD5251 Approved
0.7094 Intermediate Similarity NPD5249 Phase 3
0.7087 Intermediate Similarity NPD7319 Approved
0.7075 Intermediate Similarity NPD6672 Approved
0.7075 Intermediate Similarity NPD5737 Approved
0.7075 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD6117 Approved
0.7064 Intermediate Similarity NPD7900 Approved
0.7064 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD5330 Approved
0.7048 Intermediate Similarity NPD6409 Approved
0.7048 Intermediate Similarity NPD3618 Phase 1
0.7048 Intermediate Similarity NPD7146 Approved
0.7048 Intermediate Similarity NPD6684 Approved
0.7048 Intermediate Similarity NPD7521 Approved
0.7048 Intermediate Similarity NPD7334 Approved
0.7037 Intermediate Similarity NPD7515 Phase 2
0.7034 Intermediate Similarity NPD5215 Approved
0.7034 Intermediate Similarity NPD5127 Approved
0.7034 Intermediate Similarity NPD5217 Approved
0.7034 Intermediate Similarity NPD5216 Approved
0.7019 Intermediate Similarity NPD4786 Approved
0.7009 Intermediate Similarity NPD4753 Phase 2
0.7009 Intermediate Similarity NPD6080 Approved
0.7009 Intermediate Similarity NPD6904 Approved
0.7009 Intermediate Similarity NPD6673 Approved
0.7 Intermediate Similarity NPD4629 Approved
0.7 Intermediate Similarity NPD5210 Approved
0.6984 Remote Similarity NPD7507 Approved
0.697 Remote Similarity NPD3703 Phase 2
0.693 Remote Similarity NPD7632 Discontinued
0.6917 Remote Similarity NPD6333 Approved
0.6917 Remote Similarity NPD6334 Approved
0.6917 Remote Similarity NPD8133 Approved
0.6916 Remote Similarity NPD6903 Approved
0.6909 Remote Similarity NPD6001 Approved
0.6887 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6098 Approved
0.6869 Remote Similarity NPD6113 Clinical (unspecified phase)
0.686 Remote Similarity NPD5167 Approved
0.6857 Remote Similarity NPD3665 Phase 1
0.6857 Remote Similarity NPD3666 Approved
0.6857 Remote Similarity NPD3133 Approved
0.6842 Remote Similarity NPD1700 Approved
0.6838 Remote Similarity NPD6412 Phase 2
0.6827 Remote Similarity NPD3667 Approved
0.6792 Remote Similarity NPD5329 Approved
0.678 Remote Similarity NPD5168 Approved
0.6727 Remote Similarity NPD5284 Approved
0.6727 Remote Similarity NPD5281 Approved
0.6727 Remote Similarity NPD6050 Approved
0.6727 Remote Similarity NPD5693 Phase 1
0.6727 Remote Similarity NPD6411 Approved
0.6698 Remote Similarity NPD4197 Approved
0.6694 Remote Similarity NPD6053 Discontinued
0.6667 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5777 Approved
0.6667 Remote Similarity NPD4225 Approved
0.6667 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6371 Approved
0.6667 Remote Similarity NPD6921 Approved
0.6636 Remote Similarity NPD5785 Approved
0.6636 Remote Similarity NPD5692 Phase 3
0.6635 Remote Similarity NPD7525 Registered
0.6634 Remote Similarity NPD3702 Approved
0.6583 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5694 Approved
0.6577 Remote Similarity NPD7637 Suspended
0.6574 Remote Similarity NPD5690 Phase 2
0.6574 Remote Similarity NPD5279 Phase 3
0.6574 Remote Similarity NPD5786 Approved
0.6571 Remote Similarity NPD5369 Approved
0.6566 Remote Similarity NPD4245 Approved
0.6566 Remote Similarity NPD4244 Approved
0.6566 Remote Similarity NPD4789 Approved
0.6545 Remote Similarity NPD6101 Approved
0.6545 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6535 Remote Similarity NPD8033 Approved
0.6518 Remote Similarity NPD5779 Approved
0.6518 Remote Similarity NPD5778 Approved
0.6514 Remote Similarity NPD3573 Approved
0.6509 Remote Similarity NPD6435 Approved
0.6509 Remote Similarity NPD4223 Phase 3

Structure

External Identifiers

PubChem CID   57332096
ChEMBL   CHEMBL1951407
ZINC  

Physicochemical Properties

Molecular Weight:  544.34
ALogP:  -0.3678
MLogP:  4.21
XLogP:  4.047
# Rotatable Bonds:  17
Polar Surface Area:  121.13
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  39

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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