Natural Product: NPC470346

Natural Product ID:  NPC470346
Common Name:   Rel-Myrtucommulone L
IUPAC Name:   (1'R,2R,4S,5'S)-6,6,8,8-tetramethyl-1',4-di(propan-2-yl)spiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-5,7-dione
Synonyms:   Rel-Myrtucommulone L
Molecular Formula:   C24H36O3
Standard InCHIKey:  QLGACJMERDLYGD-QBGYIRFESA-N
Standard InCHI:  InChI=1S/C24H36O3/c1-13(2)15-11-24(10-9-23(14(3)4)12-16(23)24)27-19-17(15)18(25)21(5,6)20(26)22(19,7)8/h13-16H,9-12H2,1-8H3/t15-,16-,23+,24+/m0/s1
Canonical SMILES:  CC([C@@H]1C[C@@]2(CC[C@]3([C@@H]2C3)C(C)C)OC2=C1C(=O)C(C(=O)C2(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
NPO4570 Myrtus communis Species Myrtaceae Eukaryota Leaves PMID[22276775]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT25 Cell Line MT4 Homo sapiens IC50 = 41400 nM PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 560000 nM 23664876

  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 NPC470346 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
0.8966 High Similarity NPC478243
0.8966 High Similarity NPC478244
0.8851 High Similarity NPC478258
0.8851 High Similarity NPC478257
0.8391 Intermediate Similarity NPC470345
0.7882 Intermediate Similarity NPC478247
0.7882 Intermediate Similarity NPC478246
0.7667 Intermediate Similarity NPC478245
0.7526 Intermediate Similarity NPC477268
0.7526 Intermediate Similarity NPC472689
0.7526 Intermediate Similarity NPC472690
0.7526 Intermediate Similarity NPC477267
0.75 Intermediate Similarity NPC38885
0.75 Intermediate Similarity NPC279667
0.7471 Intermediate Similarity NPC469996
0.7447 Intermediate Similarity NPC280592
0.7447 Intermediate Similarity NPC253177
0.7447 Intermediate Similarity NPC213636
0.7444 Intermediate Similarity NPC472492
0.7419 Intermediate Similarity NPC143025
0.7416 Intermediate Similarity NPC478262
0.7368 Intermediate Similarity NPC471329
0.7368 Intermediate Similarity NPC296114
0.7363 Intermediate Similarity NPC472480
0.734 Intermediate Similarity NPC305039
0.734 Intermediate Similarity NPC473039
0.7333 Intermediate Similarity NPC477271
0.7333 Intermediate Similarity NPC477270
0.7333 Intermediate Similarity NPC193347
0.7333 Intermediate Similarity NPC477269
0.7333 Intermediate Similarity NPC129080
0.7273 Intermediate Similarity NPC23778
0.7245 Intermediate Similarity NPC472733
0.7245 Intermediate Similarity NPC472734
0.7234 Intermediate Similarity NPC472677
0.7234 Intermediate Similarity NPC58532
0.7222 Intermediate Similarity NPC472684
0.7222 Intermediate Similarity NPC44963
0.7204 Intermediate Similarity NPC472491
0.7204 Intermediate Similarity NPC472494
0.7204 Intermediate Similarity NPC195640
0.7176 Intermediate Similarity NPC144627
0.7174 Intermediate Similarity NPC109512
0.7174 Intermediate Similarity NPC475796
0.7174 Intermediate Similarity NPC144258
0.7172 Intermediate Similarity NPC27105
0.7172 Intermediate Similarity NPC472732
0.7172 Intermediate Similarity NPC472731
0.7157 Intermediate Similarity NPC36321
0.7129 Intermediate Similarity NPC475867
0.7129 Intermediate Similarity NPC270155
0.7128 Intermediate Similarity NPC472482
0.7128 Intermediate Similarity NPC472484
0.7128 Intermediate Similarity NPC472493
0.7128 Intermediate Similarity NPC472481
0.7113 Intermediate Similarity NPC472226
0.7113 Intermediate Similarity NPC472225
0.71 Intermediate Similarity NPC472687
0.71 Intermediate Similarity NPC471331
0.71 Intermediate Similarity NPC472730
0.71 Intermediate Similarity NPC471330
0.71 Intermediate Similarity NPC147954
0.71 Intermediate Similarity NPC203388
0.71 Intermediate Similarity NPC99657
0.71 Intermediate Similarity NPC472729
0.71 Intermediate Similarity NPC177680
0.71 Intermediate Similarity NPC153776
0.7097 Intermediate Similarity NPC323765
0.7097 Intermediate Similarity NPC202868
0.7087 Intermediate Similarity NPC13385
0.7065 Intermediate Similarity NPC477373
0.7065 Intermediate Similarity NPC271784
0.7059 Intermediate Similarity NPC308351
0.7059 Intermediate Similarity NPC271266
0.7053 Intermediate Similarity NPC472483
0.7053 Intermediate Similarity NPC131470
0.7053 Intermediate Similarity NPC328313
0.7053 Intermediate Similarity NPC80335
0.7053 Intermediate Similarity NPC478261
0.7053 Intermediate Similarity NPC53911
0.7053 Intermediate Similarity NPC478259
0.7053 Intermediate Similarity NPC143767
0.7053 Intermediate Similarity NPC478260
0.7045 Intermediate Similarity NPC124289
0.7045 Intermediate Similarity NPC141346
0.7045 Intermediate Similarity NPC142759
0.7045 Intermediate Similarity NPC25908
0.7045 Intermediate Similarity NPC226242
0.7045 Intermediate Similarity NPC115719
0.7045 Intermediate Similarity NPC473437
0.7041 Intermediate Similarity NPC294266
0.7041 Intermediate Similarity NPC124207
0.7033 Intermediate Similarity NPC189237
0.7033 Intermediate Similarity NPC477372
0.7033 Intermediate Similarity NPC150506
0.703 Intermediate Similarity NPC472727
0.703 Intermediate Similarity NPC472728
0.703 Intermediate Similarity NPC112167
0.7021 Intermediate Similarity NPC477478
0.7021 Intermediate Similarity NPC472488
0.7021 Intermediate Similarity NPC477479
0.7021 Intermediate Similarity NPC472479
0.7011 Intermediate Similarity NPC469691
0.7011 Intermediate Similarity NPC167049
0.7011 Intermediate Similarity NPC255021
0.701 Intermediate Similarity NPC218301
0.7 Intermediate Similarity NPC151488
0.7 Intermediate Similarity NPC469608
0.7 Intermediate Similarity NPC32758
0.7 Intermediate Similarity NPC20078
0.7 Intermediate Similarity NPC301769
0.7 Intermediate Similarity NPC473574
0.699 Remote Similarity NPC474330
0.699 Remote Similarity NPC474207
0.6989 Remote Similarity NPC469407
0.6979 Remote Similarity NPC86319
0.6979 Remote Similarity NPC477943
0.6979 Remote Similarity NPC275740
0.6977 Remote Similarity NPC5701
0.697 Remote Similarity NPC31021
0.6961 Remote Similarity NPC181645
0.6957 Remote Similarity NPC321289
0.6957 Remote Similarity NPC327969
0.6957 Remote Similarity NPC100297
0.6957 Remote Similarity NPC469325
0.6952 Remote Similarity NPC220974
0.6944 Remote Similarity NPC476163
0.6939 Remote Similarity NPC474807
0.6939 Remote Similarity NPC25750
0.6932 Remote Similarity NPC77501
0.6932 Remote Similarity NPC251435
0.6932 Remote Similarity NPC475771
0.6932 Remote Similarity NPC469669
0.6932 Remote Similarity NPC469678
0.6923 Remote Similarity NPC164218
0.6923 Remote Similarity NPC287817
0.6923 Remote Similarity NPC74445
0.6923 Remote Similarity NPC235889
0.6923 Remote Similarity NPC47747
0.6915 Remote Similarity NPC469948
0.6915 Remote Similarity NPC473038
0.6907 Remote Similarity NPC183283
0.6907 Remote Similarity NPC161638
0.6907 Remote Similarity NPC223093
0.69 Remote Similarity NPC272411
0.69 Remote Similarity NPC125622
0.69 Remote Similarity NPC95565
0.69 Remote Similarity NPC21681
0.69 Remote Similarity NPC472675
0.6897 Remote Similarity NPC107783
0.6897 Remote Similarity NPC92909
0.6893 Remote Similarity NPC163249
0.6889 Remote Similarity NPC222210
0.6889 Remote Similarity NPC63445
0.6889 Remote Similarity NPC476808
0.6882 Remote Similarity NPC476082
0.6882 Remote Similarity NPC8091
0.6882 Remote Similarity NPC469561
0.6882 Remote Similarity NPC278648
0.6875 Remote Similarity NPC471724
0.6875 Remote Similarity NPC241507
0.6875 Remote Similarity NPC328539
0.6875 Remote Similarity NPC28227
0.6875 Remote Similarity NPC269677
0.6869 Remote Similarity NPC469819
0.6869 Remote Similarity NPC114162
0.6869 Remote Similarity NPC184870
0.6869 Remote Similarity NPC318332
0.6867 Remote Similarity NPC61473
0.6863 Remote Similarity NPC474720
0.6863 Remote Similarity NPC83709
0.6857 Remote Similarity NPC60681
0.6857 Remote Similarity NPC470267
0.6857 Remote Similarity NPC181265
0.6854 Remote Similarity NPC69408
0.6854 Remote Similarity NPC182848
0.6852 Remote Similarity NPC43775
0.6848 Remote Similarity NPC282293
0.6848 Remote Similarity NPC474353
0.6842 Remote Similarity NPC474733
0.6842 Remote Similarity NPC145879
0.6842 Remote Similarity NPC31564
0.6842 Remote Similarity NPC72133
0.6842 Remote Similarity NPC474778
0.6842 Remote Similarity NPC474732
0.6837 Remote Similarity NPC150383
0.6837 Remote Similarity NPC190442
0.6837 Remote Similarity NPC63748
0.6832 Remote Similarity NPC18319
0.6832 Remote Similarity NPC23680
0.6832 Remote Similarity NPC18509
0.6832 Remote Similarity NPC216904
0.6827 Remote Similarity NPC470954
0.6822 Remote Similarity NPC474901
0.6822 Remote Similarity NPC475941
0.6822 Remote Similarity NPC470257
0.6813 Remote Similarity NPC215843
0.6813 Remote Similarity NPC477371
0.6809 Remote Similarity NPC329043
0.6809 Remote Similarity NPC321187

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470346 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
0.734 Intermediate Similarity NPD6673 Approved
0.734 Intermediate Similarity NPD6080 Approved
0.734 Intermediate Similarity NPD6904 Approved
0.7333 Intermediate Similarity NPD4221 Approved
0.7333 Intermediate Similarity NPD4223 Phase 3
0.732 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD5329 Approved
0.7234 Intermediate Similarity NPD5208 Approved
0.7216 Intermediate Similarity NPD6001 Approved
0.7204 Intermediate Similarity NPD7146 Approved
0.7204 Intermediate Similarity NPD7334 Approved
0.7204 Intermediate Similarity NPD6684 Approved
0.7204 Intermediate Similarity NPD6409 Approved
0.7204 Intermediate Similarity NPD5330 Approved
0.7204 Intermediate Similarity NPD6098 Approved
0.7204 Intermediate Similarity NPD7521 Approved
0.7188 Intermediate Similarity NPD6050 Approved
0.7174 Intermediate Similarity NPD4197 Approved
0.7083 Intermediate Similarity NPD5207 Approved
0.7083 Intermediate Similarity NPD5692 Phase 3
0.7079 Intermediate Similarity NPD3617 Approved
0.7053 Intermediate Similarity NPD6903 Approved
0.7053 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD4692 Approved
0.7033 Intermediate Similarity NPD4139 Approved
0.7021 Intermediate Similarity NPD5690 Phase 2
0.7021 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4694 Approved
0.7021 Intermediate Similarity NPD4689 Approved
0.7021 Intermediate Similarity NPD5205 Approved
0.7021 Intermediate Similarity NPD4688 Approved
0.7021 Intermediate Similarity NPD5280 Approved
0.7021 Intermediate Similarity NPD4138 Approved
0.7021 Intermediate Similarity NPD4693 Phase 3
0.7021 Intermediate Similarity NPD4690 Approved
0.701 Intermediate Similarity NPD5694 Approved
0.701 Intermediate Similarity NPD5693 Phase 1
0.7 Intermediate Similarity NPD5959 Approved
0.6979 Remote Similarity NPD5328 Approved
0.6939 Remote Similarity NPD5133 Approved
0.6875 Remote Similarity NPD5737 Approved
0.6875 Remote Similarity NPD6672 Approved
0.6867 Remote Similarity NPD7341 Phase 2
0.6857 Remote Similarity NPD7128 Approved
0.6857 Remote Similarity NPD6675 Approved
0.6857 Remote Similarity NPD6008 Approved
0.6857 Remote Similarity NPD6402 Approved
0.6857 Remote Similarity NPD5739 Approved
0.6837 Remote Similarity NPD6079 Approved
0.6832 Remote Similarity NPD6084 Phase 2
0.6832 Remote Similarity NPD4755 Approved
0.6832 Remote Similarity NPD6083 Phase 2
0.6809 Remote Similarity NPD3665 Phase 1
0.6809 Remote Similarity NPD3666 Approved
0.6809 Remote Similarity NPD3133 Approved
0.6804 Remote Similarity NPD4753 Phase 2
0.68 Remote Similarity NPD5695 Phase 3
0.68 Remote Similarity NPD5654 Approved
0.6771 Remote Similarity NPD3573 Approved
0.6768 Remote Similarity NPD4202 Approved
0.6729 Remote Similarity NPD6881 Approved
0.6729 Remote Similarity NPD7320 Approved
0.6729 Remote Similarity NPD6899 Approved
0.6702 Remote Similarity NPD4788 Approved
0.6699 Remote Similarity NPD5285 Approved
0.6699 Remote Similarity NPD5286 Approved
0.6699 Remote Similarity NPD4700 Approved
0.6699 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD5281 Approved
0.6667 Remote Similarity NPD4747 Approved
0.6667 Remote Similarity NPD5284 Approved
0.6636 Remote Similarity NPD5701 Approved
0.6636 Remote Similarity NPD5697 Approved
0.6635 Remote Similarity NPD5223 Approved
0.6632 Remote Similarity NPD4786 Approved
0.663 Remote Similarity NPD4195 Approved
0.6629 Remote Similarity NPD5733 Approved
0.6606 Remote Similarity NPD7290 Approved
0.6606 Remote Similarity NPD7102 Approved
0.6606 Remote Similarity NPD6883 Approved
0.6602 Remote Similarity NPD5696 Approved
0.6596 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6011 Approved
0.6571 Remote Similarity NPD4633 Approved
0.6571 Remote Similarity NPD5225 Approved
0.6571 Remote Similarity NPD5211 Phase 2
0.6571 Remote Similarity NPD5224 Approved
0.6571 Remote Similarity NPD5226 Approved
0.6566 Remote Similarity NPD4096 Approved
0.6552 Remote Similarity NPD4137 Phase 3
0.6545 Remote Similarity NPD6617 Approved
0.6545 Remote Similarity NPD6650 Approved
0.6545 Remote Similarity NPD8130 Phase 1
0.6545 Remote Similarity NPD6847 Approved
0.6545 Remote Similarity NPD6869 Approved
0.6545 Remote Similarity NPD6649 Approved
0.6545 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4518 Approved
0.6514 Remote Similarity NPD6013 Approved
0.6514 Remote Similarity NPD6014 Approved
0.6514 Remote Similarity NPD6012 Approved
0.6509 Remote Similarity NPD5174 Approved
0.6509 Remote Similarity NPD6052 Approved
0.6509 Remote Similarity NPD4754 Approved
0.6509 Remote Similarity NPD5175 Approved
0.6495 Remote Similarity NPD3618 Phase 1
0.6486 Remote Similarity NPD6882 Approved
0.6486 Remote Similarity NPD8297 Approved
0.6477 Remote Similarity NPD4691 Approved
0.6471 Remote Similarity NPD5210 Approved
0.6471 Remote Similarity NPD4629 Approved
0.6455 Remote Similarity NPD4634 Approved
0.6449 Remote Similarity NPD5141 Approved
0.6444 Remote Similarity NPD4687 Approved
0.6436 Remote Similarity NPD6399 Phase 3
0.6421 Remote Similarity NPD3667 Approved
0.6408 Remote Similarity NPD5222 Approved
0.6408 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6408 Remote Similarity NPD4697 Phase 3
0.6408 Remote Similarity NPD5221 Approved
0.6404 Remote Similarity NPD5276 Approved
0.6395 Remote Similarity NPD7331 Phase 2
0.6389 Remote Similarity NPD4767 Approved
0.6389 Remote Similarity NPD4768 Approved
0.6379 Remote Similarity NPD6059 Approved
0.6379 Remote Similarity NPD6054 Approved
0.6346 Remote Similarity NPD5173 Approved
0.6339 Remote Similarity NPD6053 Discontinued
0.633 Remote Similarity NPD6614 Approved
0.6327 Remote Similarity NPD5279 Phase 3
0.6289 Remote Similarity NPD3668 Phase 3
0.6273 Remote Similarity NPD5128 Approved
0.6273 Remote Similarity NPD4729 Approved
0.6273 Remote Similarity NPD4730 Approved
0.6271 Remote Similarity NPD6370 Approved
0.6264 Remote Similarity NPD4058 Approved
0.6261 Remote Similarity NPD7115 Discovery
0.6239 Remote Similarity NPD6319 Approved
0.6222 Remote Similarity NPD4243 Approved
0.6218 Remote Similarity NPD7604 Phase 2
0.6211 Remote Similarity NPD4695 Discontinued
0.6207 Remote Similarity NPD6335 Approved
0.6186 Remote Similarity NPD6015 Approved
0.6186 Remote Similarity NPD6016 Approved
0.6174 Remote Similarity NPD6274 Approved
0.6167 Remote Similarity NPD7492 Approved
0.6162 Remote Similarity NPD4623 Approved
0.6162 Remote Similarity NPD4519 Discontinued
0.6161 Remote Similarity NPD5250 Approved
0.6161 Remote Similarity NPD5249 Phase 3
0.6161 Remote Similarity NPD5169 Approved
0.6161 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6161 Remote Similarity NPD5248 Approved
0.6161 Remote Similarity NPD5251 Approved
0.6161 Remote Similarity NPD5135 Approved
0.6161 Remote Similarity NPD5247 Approved
0.6154 Remote Similarity NPD7101 Approved
0.6154 Remote Similarity NPD7100 Approved
0.614 Remote Similarity NPD4632 Approved
0.6134 Remote Similarity NPD5988 Approved
0.6121 Remote Similarity NPD6317 Approved
0.6116 Remote Similarity NPD6616 Approved
0.6111 Remote Similarity NPD5091 Approved
0.6106 Remote Similarity NPD5217 Approved
0.6106 Remote Similarity NPD5216 Approved
0.6106 Remote Similarity NPD5215 Approved
0.6106 Remote Similarity NPD5127 Approved
0.6087 Remote Similarity NPD4785 Approved
0.6087 Remote Similarity NPD4784 Approved
0.6068 Remote Similarity NPD6314 Approved
0.6068 Remote Similarity NPD6313 Approved
0.6067 Remote Similarity NPD5360 Phase 3
0.6067 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6067 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6066 Remote Similarity NPD7078 Approved
0.6066 Remote Similarity NPD8293 Discontinued
0.6061 Remote Similarity NPD1694 Approved
0.6058 Remote Similarity NPD5282 Discontinued
0.6058 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6058 Remote Similarity NPD7900 Approved
0.6058 Remote Similarity NPD7748 Approved
0.605 Remote Similarity NPD6908 Approved
0.605 Remote Similarity NPD6909 Approved
0.6044 Remote Similarity NPD5777 Approved
0.6036 Remote Similarity NPD6412 Phase 2
0.6022 Remote Similarity NPD3702 Approved
0.6016 Remote Similarity NPD6033 Approved
0.6016 Remote Similarity NPD7736 Approved
0.5983 Remote Similarity NPD6009 Approved
0.598 Remote Similarity NPD6051 Approved
0.598 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5979 Remote Similarity NPD5369 Approved
0.5948 Remote Similarity NPD5167 Approved
0.5922 Remote Similarity NPD5785 Approved
0.5918 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5918 Remote Similarity NPD6435 Approved
0.5917 Remote Similarity NPD5983 Phase 2
0.5917 Remote Similarity NPD6291 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   57333287
ChEMBL   CHEMBL2011678
ZINC  

Physicochemical Properties

Molecular Weight:  372.27
ALogP:  2.0962
MLogP:  3.77
XLogP:  5.861
# Rotatable Bonds:  10
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  27

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs