Natural Product: NPC478262

Natural Product ID:  NPC478262
Common Name:   Frutescones K
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H44O3
Standard InCHIKey:  GEJLKRYAPUEELN-PFPMIOGASA-N
Standard InCHI:  InChI=1S/C29H44O3/c1-16(2)22-21-12-11-17(3)19-15-27(5,6)20(19)13-14-29(21,9)32-26-23(22)24(30)18(4)25(31-10)28(26,7)8/h16,19-22H,3,11-15H2,1-2,4-10H3/t19?,20-,21?,22+,29+/m1/s1
Canonical SMILES:  COC1=C(C)C(=O)C2=C(C1(C)C)O[C@@]1(C([C@@H]2C(C)C)CCC(=C)C2[C@@H](CC1)C(C2)(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 > 50 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 NPC478262 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
0.8554 High Similarity NPC478245
0.8046 Intermediate Similarity NPC478260
0.8046 Intermediate Similarity NPC478261
0.8046 Intermediate Similarity NPC478259
0.7927 Intermediate Similarity NPC478246
0.7927 Intermediate Similarity NPC478247
0.7816 Intermediate Similarity NPC470345
0.7667 Intermediate Similarity NPC478258
0.7667 Intermediate Similarity NPC478257
0.7667 Intermediate Similarity NPC223093
0.7442 Intermediate Similarity NPC474085
0.7416 Intermediate Similarity NPC470346
0.7375 Intermediate Similarity NPC469914
0.7356 Intermediate Similarity NPC145963
0.7333 Intermediate Similarity NPC38885
0.7326 Intermediate Similarity NPC304795
0.7317 Intermediate Similarity NPC470237
0.7308 Intermediate Similarity NPC61473
0.7303 Intermediate Similarity NPC133652
0.7294 Intermediate Similarity NPC469996
0.7294 Intermediate Similarity NPC23778
0.7283 Intermediate Similarity NPC280592
0.7283 Intermediate Similarity NPC213636
0.7283 Intermediate Similarity NPC253177
0.7263 Intermediate Similarity NPC472733
0.7263 Intermediate Similarity NPC472734
0.7253 Intermediate Similarity NPC143025
0.7229 Intermediate Similarity NPC167049
0.7229 Intermediate Similarity NPC469691
0.7222 Intermediate Similarity NPC220478
0.7209 Intermediate Similarity NPC476177
0.7204 Intermediate Similarity NPC478243
0.7204 Intermediate Similarity NPC478244
0.7204 Intermediate Similarity NPC296114
0.7204 Intermediate Similarity NPC471329
0.7188 Intermediate Similarity NPC472732
0.7188 Intermediate Similarity NPC472731
0.7176 Intermediate Similarity NPC283087
0.7176 Intermediate Similarity NPC472300
0.7143 Intermediate Similarity NPC469678
0.7143 Intermediate Similarity NPC113370
0.7143 Intermediate Similarity NPC103743
0.7143 Intermediate Similarity NPC475861
0.7143 Intermediate Similarity NPC469669
0.7143 Intermediate Similarity NPC475771
0.7143 Intermediate Similarity NPC476079
0.7143 Intermediate Similarity NPC471728
0.7143 Intermediate Similarity NPC474419
0.7126 Intermediate Similarity NPC2482
0.7113 Intermediate Similarity NPC177680
0.7113 Intermediate Similarity NPC472730
0.7113 Intermediate Similarity NPC472729
0.7113 Intermediate Similarity NPC153776
0.7111 Intermediate Similarity NPC241512
0.7111 Intermediate Similarity NPC263997
0.7111 Intermediate Similarity NPC6185
0.7111 Intermediate Similarity NPC132228
0.7111 Intermediate Similarity NPC8518
0.7097 Intermediate Similarity NPC469464
0.7093 Intermediate Similarity NPC275494
0.7093 Intermediate Similarity NPC471409
0.7093 Intermediate Similarity NPC321180
0.7093 Intermediate Similarity NPC474056
0.7079 Intermediate Similarity NPC475622
0.7079 Intermediate Similarity NPC64600
0.7079 Intermediate Similarity NPC108045
0.7059 Intermediate Similarity NPC470525
0.7059 Intermediate Similarity NPC226242
0.7045 Intermediate Similarity NPC149237
0.7045 Intermediate Similarity NPC474353
0.7045 Intermediate Similarity NPC472684
0.7045 Intermediate Similarity NPC44963
0.7041 Intermediate Similarity NPC472727
0.7041 Intermediate Similarity NPC472728
0.7033 Intermediate Similarity NPC477478
0.7033 Intermediate Similarity NPC203795
0.7033 Intermediate Similarity NPC477479
0.7021 Intermediate Similarity NPC248913
0.7011 Intermediate Similarity NPC469690
0.7011 Intermediate Similarity NPC268502
0.7011 Intermediate Similarity NPC469620
0.7011 Intermediate Similarity NPC254996
0.701 Intermediate Similarity NPC473574
0.701 Intermediate Similarity NPC27105
0.701 Intermediate Similarity NPC20078
0.7 Intermediate Similarity NPC476412
0.6989 Remote Similarity NPC284561
0.6989 Remote Similarity NPC50070
0.6988 Remote Similarity NPC474539
0.6988 Remote Similarity NPC40327
0.6979 Remote Similarity NPC91408
0.6979 Remote Similarity NPC279313
0.6977 Remote Similarity NPC211279
0.6966 Remote Similarity NPC327969
0.6966 Remote Similarity NPC70479
0.6966 Remote Similarity NPC470813
0.6966 Remote Similarity NPC321289
0.6957 Remote Similarity NPC30421
0.6957 Remote Similarity NPC471739
0.6947 Remote Similarity NPC477436
0.6947 Remote Similarity NPC477435
0.6939 Remote Similarity NPC99657
0.6939 Remote Similarity NPC203388
0.6939 Remote Similarity NPC472687
0.6939 Remote Similarity NPC471331
0.6939 Remote Similarity NPC471330
0.6932 Remote Similarity NPC108955
0.6932 Remote Similarity NPC47747
0.6931 Remote Similarity NPC40170
0.6923 Remote Similarity NPC469948
0.6923 Remote Similarity NPC307112
0.6915 Remote Similarity NPC472325
0.6907 Remote Similarity NPC472675
0.6907 Remote Similarity NPC21681
0.6905 Remote Similarity NPC92909
0.6905 Remote Similarity NPC107783
0.6897 Remote Similarity NPC207186
0.6897 Remote Similarity NPC321514
0.6897 Remote Similarity NPC62336
0.6897 Remote Similarity NPC471220
0.6889 Remote Similarity NPC476082
0.6889 Remote Similarity NPC278648
0.6889 Remote Similarity NPC53867
0.6889 Remote Similarity NPC193198
0.6889 Remote Similarity NPC8091
0.6882 Remote Similarity NPC475001
0.6882 Remote Similarity NPC185059
0.6875 Remote Similarity NPC477439
0.6875 Remote Similarity NPC477241
0.6875 Remote Similarity NPC114162
0.6875 Remote Similarity NPC98897
0.6875 Remote Similarity NPC212812
0.6875 Remote Similarity NPC469819
0.6863 Remote Similarity NPC471333
0.6863 Remote Similarity NPC471332
0.686 Remote Similarity NPC474527
0.686 Remote Similarity NPC263582
0.686 Remote Similarity NPC471726
0.686 Remote Similarity NPC40353
0.686 Remote Similarity NPC92080
0.6854 Remote Similarity NPC225515
0.6854 Remote Similarity NPC476988
0.6854 Remote Similarity NPC475665
0.6854 Remote Similarity NPC121984
0.6854 Remote Similarity NPC55869
0.6854 Remote Similarity NPC327002
0.6854 Remote Similarity NPC189237
0.6848 Remote Similarity NPC469676
0.6848 Remote Similarity NPC195640
0.6842 Remote Similarity NPC45579
0.6842 Remote Similarity NPC218301
0.6842 Remote Similarity NPC190442
0.6842 Remote Similarity NPC472978
0.6842 Remote Similarity NPC219874
0.6842 Remote Similarity NPC472975
0.6837 Remote Similarity NPC239895
0.6832 Remote Similarity NPC179208
0.6824 Remote Similarity NPC306928
0.6824 Remote Similarity NPC470299
0.6824 Remote Similarity NPC166797
0.6818 Remote Similarity NPC469608
0.6813 Remote Similarity NPC312660
0.6813 Remote Similarity NPC120158
0.6813 Remote Similarity NPC475193
0.6813 Remote Similarity NPC251170
0.6813 Remote Similarity NPC475796
0.6813 Remote Similarity NPC320801
0.6809 Remote Similarity NPC472973
0.6804 Remote Similarity NPC477438
0.6804 Remote Similarity NPC31021
0.6804 Remote Similarity NPC477437
0.6804 Remote Similarity NPC473170
0.68 Remote Similarity NPC181645
0.6795 Remote Similarity NPC40206
0.679 Remote Similarity NPC16119
0.6786 Remote Similarity NPC144627
0.6786 Remote Similarity NPC5734
0.6786 Remote Similarity NPC84790
0.6782 Remote Similarity NPC476264
0.6782 Remote Similarity NPC476325
0.6782 Remote Similarity NPC257666
0.6782 Remote Similarity NPC266193
0.6782 Remote Similarity NPC165711
0.6782 Remote Similarity NPC197659
0.6778 Remote Similarity NPC103486
0.6774 Remote Similarity NPC181327
0.6774 Remote Similarity NPC478145
0.6771 Remote Similarity NPC229976
0.6771 Remote Similarity NPC79117
0.6771 Remote Similarity NPC477615
0.6771 Remote Similarity NPC476416
0.6768 Remote Similarity NPC471582
0.675 Remote Similarity NPC475124
0.675 Remote Similarity NPC34622
0.675 Remote Similarity NPC474400
0.6747 Remote Similarity NPC261398
0.6747 Remote Similarity NPC477448
0.6747 Remote Similarity NPC477449
0.6744 Remote Similarity NPC114236
0.6744 Remote Similarity NPC324762

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478262 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
0.7308 Intermediate Similarity NPD7341 Phase 2
0.7215 Intermediate Similarity NPD7331 Phase 2
0.6957 Remote Similarity NPD3573 Approved
0.6932 Remote Similarity NPD4695 Discontinued
0.6848 Remote Similarity NPD7334 Approved
0.6848 Remote Similarity NPD5330 Approved
0.6848 Remote Similarity NPD6684 Approved
0.6848 Remote Similarity NPD7146 Approved
0.6848 Remote Similarity NPD7521 Approved
0.6848 Remote Similarity NPD6409 Approved
0.679 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6702 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5737 Approved
0.6702 Remote Similarity NPD6903 Approved
0.6702 Remote Similarity NPD6672 Approved
0.6701 Remote Similarity NPD5282 Discontinued
0.6667 Remote Similarity NPD6411 Approved
0.6632 Remote Similarity NPD6673 Approved
0.6632 Remote Similarity NPD6080 Approved
0.6632 Remote Similarity NPD6904 Approved
0.6632 Remote Similarity NPD5328 Approved
0.6593 Remote Similarity NPD4221 Approved
0.6593 Remote Similarity NPD4223 Phase 3
0.6559 Remote Similarity NPD5329 Approved
0.6526 Remote Similarity NPD5208 Approved
0.6517 Remote Similarity NPD3617 Approved
0.65 Remote Similarity NPD6083 Phase 2
0.65 Remote Similarity NPD6084 Phase 2
0.6495 Remote Similarity NPD6079 Approved
0.6495 Remote Similarity NPD6050 Approved
0.6489 Remote Similarity NPD6098 Approved
0.6465 Remote Similarity NPD5695 Phase 3
0.6465 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6458 Remote Similarity NPD6101 Approved
0.6458 Remote Similarity NPD4753 Phase 2
0.6452 Remote Similarity NPD3666 Approved
0.6452 Remote Similarity NPD4197 Approved
0.6452 Remote Similarity NPD4786 Approved
0.6452 Remote Similarity NPD3665 Phase 1
0.6452 Remote Similarity NPD3133 Approved
0.6413 Remote Similarity NPD3667 Approved
0.6413 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6392 Remote Similarity NPD5207 Approved
0.6392 Remote Similarity NPD5692 Phase 3
0.6383 Remote Similarity NPD1694 Approved
0.6381 Remote Similarity NPD6402 Approved
0.6381 Remote Similarity NPD5739 Approved
0.6381 Remote Similarity NPD6675 Approved
0.6381 Remote Similarity NPD7128 Approved
0.6364 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7900 Approved
0.6364 Remote Similarity NPD7748 Approved
0.6354 Remote Similarity NPD4518 Approved
0.6353 Remote Similarity NPD4137 Phase 3
0.6337 Remote Similarity NPD4755 Approved
0.6329 Remote Similarity NPD287 Approved
0.6327 Remote Similarity NPD5693 Phase 1
0.6327 Remote Similarity NPD5694 Approved
0.6316 Remote Similarity NPD4688 Approved
0.6316 Remote Similarity NPD5205 Approved
0.6316 Remote Similarity NPD4689 Approved
0.6316 Remote Similarity NPD4519 Discontinued
0.6316 Remote Similarity NPD4690 Approved
0.6316 Remote Similarity NPD5279 Phase 3
0.6316 Remote Similarity NPD4693 Phase 3
0.6316 Remote Similarity NPD4623 Approved
0.6316 Remote Similarity NPD5690 Phase 2
0.6316 Remote Similarity NPD3618 Phase 1
0.6316 Remote Similarity NPD5280 Approved
0.6316 Remote Similarity NPD4138 Approved
0.6316 Remote Similarity NPD4694 Approved
0.6289 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6279 Remote Similarity NPD4691 Approved
0.6279 Remote Similarity NPD4747 Approved
0.6277 Remote Similarity NPD3668 Phase 3
0.6275 Remote Similarity NPD5696 Approved
0.6263 Remote Similarity NPD6399 Phase 3
0.6263 Remote Similarity NPD5779 Approved
0.6263 Remote Similarity NPD5778 Approved
0.6262 Remote Similarity NPD6881 Approved
0.6262 Remote Similarity NPD7320 Approved
0.6262 Remote Similarity NPD6899 Approved
0.625 Remote Similarity NPD5733 Approved
0.6226 Remote Similarity NPD6008 Approved
0.6214 Remote Similarity NPD4700 Approved
0.6214 Remote Similarity NPD5286 Approved
0.6214 Remote Similarity NPD4696 Approved
0.6214 Remote Similarity NPD5285 Approved
0.6207 Remote Similarity NPD5276 Approved
0.6204 Remote Similarity NPD6372 Approved
0.6204 Remote Similarity NPD6373 Approved
0.62 Remote Similarity NPD6001 Approved
0.619 Remote Similarity NPD3704 Approved
0.6182 Remote Similarity NPD6053 Discontinued
0.618 Remote Similarity NPD8039 Approved
0.6176 Remote Similarity NPD7902 Approved
0.617 Remote Similarity NPD4788 Approved
0.6168 Remote Similarity NPD5697 Approved
0.6168 Remote Similarity NPD5701 Approved
0.6162 Remote Similarity NPD7515 Phase 2
0.6147 Remote Similarity NPD6883 Approved
0.6147 Remote Similarity NPD7102 Approved
0.6147 Remote Similarity NPD7290 Approved
0.6146 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6139 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6139 Remote Similarity NPD5210 Approved
0.6139 Remote Similarity NPD4629 Approved
0.61 Remote Similarity NPD4202 Approved
0.6095 Remote Similarity NPD5226 Approved
0.6095 Remote Similarity NPD5225 Approved
0.6095 Remote Similarity NPD4633 Approved
0.6095 Remote Similarity NPD5224 Approved
0.6095 Remote Similarity NPD5211 Phase 2
0.6091 Remote Similarity NPD6650 Approved
0.6091 Remote Similarity NPD6617 Approved
0.6091 Remote Similarity NPD8130 Phase 1
0.6091 Remote Similarity NPD6649 Approved
0.6091 Remote Similarity NPD6847 Approved
0.6091 Remote Similarity NPD6869 Approved
0.6078 Remote Similarity NPD7732 Phase 3
0.6078 Remote Similarity NPD5221 Approved
0.6078 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6078 Remote Similarity NPD5222 Approved
0.6078 Remote Similarity NPD4697 Phase 3
0.6067 Remote Similarity NPD4058 Approved
0.6067 Remote Similarity NPD4687 Approved
0.6064 Remote Similarity NPD6435 Approved
0.6064 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6061 Remote Similarity NPD4096 Approved
0.6055 Remote Similarity NPD6013 Approved
0.6055 Remote Similarity NPD6014 Approved
0.6055 Remote Similarity NPD6012 Approved
0.6038 Remote Similarity NPD5175 Approved
0.6038 Remote Similarity NPD5174 Approved
0.6036 Remote Similarity NPD6882 Approved
0.6036 Remote Similarity NPD8297 Approved
0.6024 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6022 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD5223 Approved
0.6 Remote Similarity NPD7154 Phase 3
0.6 Remote Similarity NPD5284 Approved
0.6 Remote Similarity NPD5281 Approved
0.5981 Remote Similarity NPD5141 Approved
0.598 Remote Similarity NPD5654 Approved
0.5963 Remote Similarity NPD6011 Approved
0.5957 Remote Similarity NPD4692 Approved
0.5957 Remote Similarity NPD4139 Approved
0.5946 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5926 Remote Similarity NPD4768 Approved
0.5926 Remote Similarity NPD4767 Approved
0.5914 Remote Similarity NPD4195 Approved
0.5888 Remote Similarity NPD4754 Approved
0.5888 Remote Similarity NPD6052 Approved
0.5876 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5872 Remote Similarity NPD6412 Phase 2
0.587 Remote Similarity NPD4756 Discovery
0.5865 Remote Similarity NPD5959 Approved
0.5862 Remote Similarity NPD3621 Clinical (unspecified phase)
0.5851 Remote Similarity NPD5368 Approved
0.5826 Remote Similarity NPD7115 Discovery
0.5818 Remote Similarity NPD4729 Approved
0.5818 Remote Similarity NPD4730 Approved
0.5818 Remote Similarity NPD5128 Approved
0.5816 Remote Similarity NPD6422 Discontinued
0.5802 Remote Similarity NPD8779 Phase 3
0.5789 Remote Similarity NPD5369 Approved
0.5784 Remote Similarity NPD5133 Approved
0.5769 Remote Similarity NPD7614 Phase 1
0.5743 Remote Similarity NPD5785 Approved
0.5743 Remote Similarity NPD6698 Approved
0.5743 Remote Similarity NPD46 Approved
0.5739 Remote Similarity NPD6274 Approved
0.5727 Remote Similarity NPD6614 Approved
0.5726 Remote Similarity NPD7101 Approved
0.5726 Remote Similarity NPD7100 Approved
0.5714 Remote Similarity NPD5250 Approved
0.5714 Remote Similarity NPD5247 Approved
0.5714 Remote Similarity NPD5249 Phase 3
0.5714 Remote Similarity NPD5251 Approved
0.5714 Remote Similarity NPD1696 Phase 3
0.5714 Remote Similarity NPD5248 Approved
0.5714 Remote Similarity NPD6926 Approved
0.5714 Remote Similarity NPD4634 Approved
0.5714 Remote Similarity NPD6924 Approved
0.5678 Remote Similarity NPD6054 Approved
0.5678 Remote Similarity NPD6059 Approved
0.567 Remote Similarity NPD6695 Phase 3
0.567 Remote Similarity NPD6110 Phase 1
0.5664 Remote Similarity NPD5215 Approved
0.5664 Remote Similarity NPD5217 Approved
0.5664 Remote Similarity NPD5216 Approved
0.5657 Remote Similarity NPD5786 Approved
0.5644 Remote Similarity NPD1695 Approved
0.5641 Remote Similarity NPD6335 Approved
0.5638 Remote Similarity NPD5784 Clinical (unspecified phase)
0.563 Remote Similarity NPD6908 Approved
0.563 Remote Similarity NPD6909 Approved
0.5625 Remote Similarity NPD8028 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  440.33
ALogP:  3.5357
MLogP:  4.32
XLogP:  8.137
# Rotatable Bonds:  11
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  32

Download Data

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