Natural Product: NPC478243

Natural Product ID:  NPC478243
Common Name:   Frutescones O
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H36O3
Standard InCHIKey:  GANQKRZEIAHQPL-RFFTYPKPSA-N
Standard InCHI:  InChI=1S/C24H36O3/c1-13(2)16-11-24(10-9-23(14(3)4)12-17(23)24)27-19-15(5)21(26-8)22(6,7)20(25)18(16)19/h13-14,16-17H,9-12H2,1-8H3/t16-,17-,23+,24?/m1/s1
Canonical SMILES:  COC1=C(C)C2=C(C(=O)C1(C)C)[C@H](CC1(O2)CC[C@@]2([C@H]1C2)C(C)C)C(C)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
NPO11277 Baeckea frutescens Species Myrtaceae Eukaryota aerial parts Nanning, Guangxi Province, China 2014-OCT PMID[28753309]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 0.36 ± 0.16 µM 28753309

  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 NPC478243 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 NPC478244
0.8966 High Similarity NPC470346
0.837 Intermediate Similarity NPC478258
0.837 Intermediate Similarity NPC478257
0.7789 Intermediate Similarity NPC213636
0.7789 Intermediate Similarity NPC253177
0.7789 Intermediate Similarity NPC280592
0.7708 Intermediate Similarity NPC296114
0.7708 Intermediate Similarity NPC471329
0.7579 Intermediate Similarity NPC143025
0.7553 Intermediate Similarity NPC470345
0.7396 Intermediate Similarity NPC478259
0.7396 Intermediate Similarity NPC58532
0.7396 Intermediate Similarity NPC478261
0.7396 Intermediate Similarity NPC478260
0.7396 Intermediate Similarity NPC472677
0.7327 Intermediate Similarity NPC151488
0.7292 Intermediate Similarity NPC476079
0.7292 Intermediate Similarity NPC113370
0.7292 Intermediate Similarity NPC103743
0.7283 Intermediate Similarity NPC47747
0.7273 Intermediate Similarity NPC248193
0.7263 Intermediate Similarity NPC470048
0.7263 Intermediate Similarity NPC478245
0.7253 Intermediate Similarity NPC478246
0.7253 Intermediate Similarity NPC63445
0.7253 Intermediate Similarity NPC222210
0.7253 Intermediate Similarity NPC478247
0.7248 Intermediate Similarity NPC476163
0.7245 Intermediate Similarity NPC161638
0.7216 Intermediate Similarity NPC471956
0.7216 Intermediate Similarity NPC241507
0.7204 Intermediate Similarity NPC282293
0.7204 Intermediate Similarity NPC478262
0.72 Intermediate Similarity NPC477241
0.7172 Intermediate Similarity NPC472953
0.7172 Intermediate Similarity NPC190442
0.7172 Intermediate Similarity NPC166110
0.717 Intermediate Similarity NPC60681
0.7158 Intermediate Similarity NPC470918
0.7157 Intermediate Similarity NPC2049
0.7157 Intermediate Similarity NPC47834
0.7157 Intermediate Similarity NPC239895
0.7115 Intermediate Similarity NPC194028
0.7115 Intermediate Similarity NPC168319
0.71 Intermediate Similarity NPC229976
0.7083 Intermediate Similarity NPC307112
0.7065 Intermediate Similarity NPC469996
0.7064 Intermediate Similarity NPC16270
0.7059 Intermediate Similarity NPC9812
0.7053 Intermediate Similarity NPC470047
0.7053 Intermediate Similarity NPC470046
0.7048 Intermediate Similarity NPC185530
0.7041 Intermediate Similarity NPC472302
0.7037 Intermediate Similarity NPC177064
0.7027 Intermediate Similarity NPC73050
0.701 Intermediate Similarity NPC470051
0.701 Intermediate Similarity NPC470050
0.701 Intermediate Similarity NPC469676
0.7009 Intermediate Similarity NPC478052
0.7 Intermediate Similarity NPC221282
0.7 Intermediate Similarity NPC472705
0.6991 Remote Similarity NPC474518
0.699 Remote Similarity NPC478233
0.6989 Remote Similarity NPC301769
0.6989 Remote Similarity NPC469620
0.6989 Remote Similarity NPC32758
0.6989 Remote Similarity NPC469690
0.6981 Remote Similarity NPC475526
0.6981 Remote Similarity NPC25666
0.6981 Remote Similarity NPC329345
0.6981 Remote Similarity NPC271059
0.6981 Remote Similarity NPC473283
0.6981 Remote Similarity NPC26478
0.6981 Remote Similarity NPC470954
0.6979 Remote Similarity NPC60951
0.6979 Remote Similarity NPC475796
0.6972 Remote Similarity NPC101018
0.697 Remote Similarity NPC95364
0.697 Remote Similarity NPC142159
0.697 Remote Similarity NPC284561
0.6961 Remote Similarity NPC171395
0.6961 Remote Similarity NPC33473
0.6957 Remote Similarity NPC184555
0.6952 Remote Similarity NPC310981
0.6952 Remote Similarity NPC206079
0.6952 Remote Similarity NPC116139
0.6952 Remote Similarity NPC471401
0.6952 Remote Similarity NPC195192
0.6952 Remote Similarity NPC304738
0.6952 Remote Similarity NPC475099
0.6944 Remote Similarity NPC476958
0.6939 Remote Similarity NPC38885
0.6937 Remote Similarity NPC475970
0.693 Remote Similarity NPC470420
0.693 Remote Similarity NPC113448
0.6923 Remote Similarity NPC176845
0.6923 Remote Similarity NPC55602
0.6923 Remote Similarity NPC64742
0.6923 Remote Similarity NPC244411
0.6916 Remote Similarity NPC119493
0.6909 Remote Similarity NPC99760
0.6907 Remote Similarity NPC202868
0.6907 Remote Similarity NPC137493
0.69 Remote Similarity NPC113393
0.69 Remote Similarity NPC49946
0.69 Remote Similarity NPC306168
0.6893 Remote Similarity NPC160056
0.6893 Remote Similarity NPC93271
0.6893 Remote Similarity NPC135576
0.6887 Remote Similarity NPC66110
0.6882 Remote Similarity NPC23778
0.6882 Remote Similarity NPC315765
0.6881 Remote Similarity NPC220155
0.6875 Remote Similarity NPC472492
0.6875 Remote Similarity NPC475083
0.6863 Remote Similarity NPC184870
0.6863 Remote Similarity NPC38830
0.6857 Remote Similarity NPC54705
0.6852 Remote Similarity NPC189863
0.6852 Remote Similarity NPC266570
0.6848 Remote Similarity NPC226242
0.6848 Remote Similarity NPC182848
0.6847 Remote Similarity NPC470960
0.6847 Remote Similarity NPC474315
0.6837 Remote Similarity NPC261253
0.6837 Remote Similarity NPC472491
0.6837 Remote Similarity NPC474045
0.6837 Remote Similarity NPC472494
0.6837 Remote Similarity NPC220478
0.6837 Remote Similarity NPC195640
0.6832 Remote Similarity NPC32944
0.6832 Remote Similarity NPC2882
0.6832 Remote Similarity NPC193396
0.6832 Remote Similarity NPC63748
0.6827 Remote Similarity NPC20078
0.6827 Remote Similarity NPC69385
0.6827 Remote Similarity NPC472689
0.6827 Remote Similarity NPC473574
0.6827 Remote Similarity NPC477268
0.6827 Remote Similarity NPC110937
0.6827 Remote Similarity NPC472690
0.6827 Remote Similarity NPC202705
0.6827 Remote Similarity NPC477267
0.6827 Remote Similarity NPC18319
0.6822 Remote Similarity NPC36321
0.6818 Remote Similarity NPC475941
0.6818 Remote Similarity NPC474901
0.6814 Remote Similarity NPC238667
0.6814 Remote Similarity NPC284915
0.6813 Remote Similarity NPC469691
0.6813 Remote Similarity NPC167049
0.6809 Remote Similarity NPC150646
0.6809 Remote Similarity NPC469608
0.6804 Remote Similarity NPC109512
0.6804 Remote Similarity NPC472480
0.68 Remote Similarity NPC473039
0.68 Remote Similarity NPC472676
0.68 Remote Similarity NPC170775
0.68 Remote Similarity NPC305039
0.68 Remote Similarity NPC472971
0.68 Remote Similarity NPC472970
0.68 Remote Similarity NPC285982
0.68 Remote Similarity NPC173042
0.68 Remote Similarity NPC472688
0.68 Remote Similarity NPC469323
0.6796 Remote Similarity NPC31021
0.6796 Remote Similarity NPC91408
0.6796 Remote Similarity NPC20546
0.6796 Remote Similarity NPC259286
0.6796 Remote Similarity NPC472932
0.6792 Remote Similarity NPC62670
0.6792 Remote Similarity NPC99411
0.6792 Remote Similarity NPC181645
0.6792 Remote Similarity NPC477950
0.6792 Remote Similarity NPC469851
0.6789 Remote Similarity NPC473169
0.6789 Remote Similarity NPC144459
0.6786 Remote Similarity NPC221144
0.6786 Remote Similarity NPC191620
0.678 Remote Similarity NPC204812
0.6777 Remote Similarity NPC221414
0.6774 Remote Similarity NPC316500
0.6771 Remote Similarity NPC256750
0.6771 Remote Similarity NPC20262
0.6771 Remote Similarity NPC193347
0.6768 Remote Similarity NPC75315
0.6768 Remote Similarity NPC472481
0.6768 Remote Similarity NPC472484
0.6768 Remote Similarity NPC163016
0.6768 Remote Similarity NPC477228
0.6768 Remote Similarity NPC478145
0.6768 Remote Similarity NPC472493
0.6768 Remote Similarity NPC472482
0.6765 Remote Similarity NPC69454
0.6765 Remote Similarity NPC37816
0.6762 Remote Similarity NPC252295
0.6762 Remote Similarity NPC147954
0.6762 Remote Similarity NPC98868
0.6762 Remote Similarity NPC222011

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478243 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
0.7 Intermediate Similarity NPD5693 Phase 1
0.7 Intermediate Similarity NPD6050 Approved
0.6961 Remote Similarity NPD6356 Clinical (unspecified phase)
0.69 Remote Similarity NPD5207 Approved
0.69 Remote Similarity NPD5692 Phase 3
0.6837 Remote Similarity NPD7521 Approved
0.6837 Remote Similarity NPD4694 Approved
0.6837 Remote Similarity NPD6684 Approved
0.6837 Remote Similarity NPD6409 Approved
0.6837 Remote Similarity NPD7334 Approved
0.6837 Remote Similarity NPD7146 Approved
0.6837 Remote Similarity NPD5280 Approved
0.6837 Remote Similarity NPD5330 Approved
0.6832 Remote Similarity NPD5694 Approved
0.6827 Remote Similarity NPD5959 Approved
0.68 Remote Similarity NPD6080 Approved
0.68 Remote Similarity NPD6673 Approved
0.68 Remote Similarity NPD6904 Approved
0.6771 Remote Similarity NPD4221 Approved
0.6771 Remote Similarity NPD4223 Phase 3
0.6765 Remote Similarity NPD5133 Approved
0.6735 Remote Similarity NPD5329 Approved
0.67 Remote Similarity NPD7513 Clinical (unspecified phase)
0.67 Remote Similarity NPD6903 Approved
0.67 Remote Similarity NPD5208 Approved
0.6699 Remote Similarity NPD6001 Approved
0.6667 Remote Similarity NPD6098 Approved
0.6637 Remote Similarity NPD6053 Discontinued
0.6635 Remote Similarity NPD5654 Approved
0.6634 Remote Similarity NPD5328 Approved
0.6633 Remote Similarity NPD4197 Approved
0.6598 Remote Similarity NPD5209 Approved
0.6566 Remote Similarity NPD1694 Approved
0.6552 Remote Similarity NPD7115 Discovery
0.6545 Remote Similarity NPD7128 Approved
0.6545 Remote Similarity NPD5739 Approved
0.6545 Remote Similarity NPD6675 Approved
0.6545 Remote Similarity NPD6008 Approved
0.6545 Remote Similarity NPD6402 Approved
0.6535 Remote Similarity NPD5737 Approved
0.6535 Remote Similarity NPD4518 Approved
0.6535 Remote Similarity NPD6672 Approved
0.6526 Remote Similarity NPD3617 Approved
0.6509 Remote Similarity NPD6083 Phase 2
0.6509 Remote Similarity NPD6084 Phase 2
0.6509 Remote Similarity NPD4755 Approved
0.6505 Remote Similarity NPD5284 Approved
0.6505 Remote Similarity NPD6079 Approved
0.6505 Remote Similarity NPD5281 Approved
0.65 Remote Similarity NPD3574 Clinical (unspecified phase)
0.65 Remote Similarity NPD4688 Approved
0.65 Remote Similarity NPD4138 Approved
0.65 Remote Similarity NPD5205 Approved
0.65 Remote Similarity NPD4689 Approved
0.65 Remote Similarity NPD5690 Phase 2
0.65 Remote Similarity NPD4690 Approved
0.65 Remote Similarity NPD4693 Phase 3
0.6495 Remote Similarity NPD4692 Approved
0.6495 Remote Similarity NPD4139 Approved
0.6477 Remote Similarity NPD7341 Phase 2
0.6476 Remote Similarity NPD5695 Phase 3
0.6471 Remote Similarity NPD4753 Phase 2
0.6465 Remote Similarity NPD3665 Phase 1
0.6465 Remote Similarity NPD3133 Approved
0.6465 Remote Similarity NPD3666 Approved
0.6452 Remote Similarity NPD5733 Approved
0.6442 Remote Similarity NPD4202 Approved
0.6429 Remote Similarity NPD6899 Approved
0.6429 Remote Similarity NPD7320 Approved
0.6429 Remote Similarity NPD6881 Approved
0.6429 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6422 Remote Similarity NPD5211 Phase 2
0.6408 Remote Similarity NPD5785 Approved
0.6408 Remote Similarity NPD4096 Approved
0.6389 Remote Similarity NPD5286 Approved
0.6389 Remote Similarity NPD4700 Approved
0.6389 Remote Similarity NPD4696 Approved
0.6389 Remote Similarity NPD5285 Approved
0.6372 Remote Similarity NPD6373 Approved
0.6372 Remote Similarity NPD6372 Approved
0.6364 Remote Similarity NPD4788 Approved
0.6339 Remote Similarity NPD5701 Approved
0.6339 Remote Similarity NPD5697 Approved
0.6337 Remote Similarity NPD5279 Phase 3
0.633 Remote Similarity NPD5223 Approved
0.6316 Remote Similarity NPD7102 Approved
0.6316 Remote Similarity NPD7290 Approved
0.6316 Remote Similarity NPD6883 Approved
0.6311 Remote Similarity NPD6051 Approved
0.6306 Remote Similarity NPD5141 Approved
0.63 Remote Similarity NPD4786 Approved
0.6296 Remote Similarity NPD5696 Approved
0.6283 Remote Similarity NPD6011 Approved
0.6277 Remote Similarity NPD4687 Approved
0.6275 Remote Similarity NPD3573 Approved
0.6273 Remote Similarity NPD5225 Approved
0.6273 Remote Similarity NPD4633 Approved
0.6273 Remote Similarity NPD5224 Approved
0.6273 Remote Similarity NPD5226 Approved
0.6263 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6261 Remote Similarity NPD8130 Phase 1
0.6261 Remote Similarity NPD6650 Approved
0.6261 Remote Similarity NPD6847 Approved
0.6261 Remote Similarity NPD6649 Approved
0.6261 Remote Similarity NPD6869 Approved
0.6261 Remote Similarity NPD6617 Approved
0.6261 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6238 Remote Similarity NPD1696 Phase 3
0.6237 Remote Similarity NPD5276 Approved
0.6228 Remote Similarity NPD6013 Approved
0.6228 Remote Similarity NPD6012 Approved
0.6228 Remote Similarity NPD6014 Approved
0.6216 Remote Similarity NPD4754 Approved
0.6216 Remote Similarity NPD5175 Approved
0.6216 Remote Similarity NPD5174 Approved
0.6211 Remote Similarity NPD8039 Approved
0.6207 Remote Similarity NPD6882 Approved
0.6207 Remote Similarity NPD8297 Approved
0.6176 Remote Similarity NPD3618 Phase 1
0.6174 Remote Similarity NPD4634 Approved
0.6174 Remote Similarity NPD6371 Approved
0.6168 Remote Similarity NPD5210 Approved
0.6168 Remote Similarity NPD4629 Approved
0.6147 Remote Similarity NPD7638 Approved
0.6132 Remote Similarity NPD6399 Phase 3
0.6129 Remote Similarity NPD4747 Approved
0.6122 Remote Similarity NPD4195 Approved
0.6116 Remote Similarity NPD6054 Approved
0.6116 Remote Similarity NPD6059 Approved
0.6111 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6111 Remote Similarity NPD4697 Phase 3
0.6111 Remote Similarity NPD5222 Approved
0.6111 Remote Similarity NPD5221 Approved
0.6106 Remote Similarity NPD4767 Approved
0.6106 Remote Similarity NPD4768 Approved
0.6105 Remote Similarity NPD4058 Approved
0.61 Remote Similarity NPD3667 Approved
0.6091 Remote Similarity NPD7639 Approved
0.6091 Remote Similarity NPD7640 Approved
0.6071 Remote Similarity NPD6052 Approved
0.6055 Remote Similarity NPD5173 Approved
0.6044 Remote Similarity NPD7331 Phase 2
0.6038 Remote Similarity NPD6411 Approved
0.6022 Remote Similarity NPD4137 Phase 3
0.6019 Remote Similarity NPD5786 Approved
0.6019 Remote Similarity NPD4623 Approved
0.6019 Remote Similarity NPD4519 Discontinued
0.6016 Remote Similarity NPD6370 Approved
0.6 Remote Similarity NPD5128 Approved
0.6 Remote Similarity NPD4729 Approved
0.6 Remote Similarity NPD4730 Approved
0.5984 Remote Similarity NPD7319 Approved
0.5984 Remote Similarity NPD6319 Approved
0.5982 Remote Similarity NPD7632 Discontinued
0.5981 Remote Similarity NPD5779 Approved
0.5981 Remote Similarity NPD5778 Approved
0.598 Remote Similarity NPD3668 Phase 3
0.5968 Remote Similarity NPD7457 Clinical (unspecified phase)
0.5968 Remote Similarity NPD7604 Phase 2
0.5957 Remote Similarity NPD4691 Approved
0.595 Remote Similarity NPD6335 Approved
0.5935 Remote Similarity NPD6015 Approved
0.5935 Remote Similarity NPD6016 Approved
0.5926 Remote Similarity NPD5282 Discontinued
0.5922 Remote Similarity NPD5363 Approved
0.592 Remote Similarity NPD7492 Approved
0.5917 Remote Similarity NPD6274 Approved
0.5913 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5913 Remote Similarity NPD6614 Approved
0.5902 Remote Similarity NPD7100 Approved
0.5902 Remote Similarity NPD7101 Approved
0.5897 Remote Similarity NPD5250 Approved
0.5897 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5897 Remote Similarity NPD5169 Approved
0.5897 Remote Similarity NPD5248 Approved
0.5897 Remote Similarity NPD5135 Approved
0.5897 Remote Similarity NPD5249 Phase 3
0.5897 Remote Similarity NPD5251 Approved
0.5897 Remote Similarity NPD5247 Approved
0.5887 Remote Similarity NPD5988 Approved
0.5882 Remote Similarity NPD4632 Approved
0.5873 Remote Similarity NPD6616 Approved
0.5873 Remote Similarity NPD7507 Approved
0.5872 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5868 Remote Similarity NPD6317 Approved
0.5849 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5849 Remote Similarity NPD6101 Approved
0.5849 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5847 Remote Similarity NPD5127 Approved
0.5847 Remote Similarity NPD5215 Approved
0.5847 Remote Similarity NPD5217 Approved
0.5847 Remote Similarity NPD5216 Approved
0.5842 Remote Similarity NPD5369 Approved
0.5827 Remote Similarity NPD8293 Discontinued
0.5827 Remote Similarity NPD7078 Approved
0.582 Remote Similarity NPD6313 Approved
0.582 Remote Similarity NPD6314 Approved
0.5812 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5806 Remote Similarity NPD6908 Approved
0.5806 Remote Similarity NPD6909 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  372.27
ALogP:  1.8614
MLogP:  3.77
XLogP:  6.164
# Rotatable Bonds:  11
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  27

Download Data

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