Natural Product: NPC140685

Natural Product ID:  NPC140685
Common Name:   Plakinamine F
IUPAC Name:   (3S,5R,9R,10R,13R,14R,17R)-3-(dimethylamino)-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-one
Synonyms:   Plakinamine F
Molecular Formula:   C31H48N2O
Standard InCHIKey:  RJYWZXYQLMDAPM-DKPJALMGSA-N
Standard InCHI:  InChI=1S/C31H48N2O/c1-19(2)21-14-17-32-27(21)18-20(3)23-10-11-24-22-8-9-26-29(34)28(33(6)7)13-16-31(26,5)25(22)12-15-30(23,24)4/h8,20,23-26,28H,9-18H2,1-7H3/t20-,23-,24+,25+,26+,28+,30-,31-/m1/s1
Canonical SMILES:  C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2=O)N(C)C)CC1=NCCC1=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
NPO32899 corticium Genus Plakinidae Eukaryota PMID[11720539]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT20 Organism Candida albicans Candida albicans IZ = 8 mm 23398362
NPT111 Cell Line K562 Homo sapiens LC50 = 1.3 ug/ml 23398362

  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 NPC140685 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
0.8317 Intermediate Similarity NPC152718
0.8137 Intermediate Similarity NPC226509
0.8125 Intermediate Similarity NPC249312
0.7981 Intermediate Similarity NPC469958
0.7905 Intermediate Similarity NPC230677
0.7895 Intermediate Similarity NPC182106
0.7895 Intermediate Similarity NPC311769
0.7788 Intermediate Similarity NPC58200
0.7684 Intermediate Similarity NPC21667
0.7653 Intermediate Similarity NPC259252
0.7573 Intermediate Similarity NPC184033
0.7526 Intermediate Similarity NPC152684
0.75 Intermediate Similarity NPC25340
0.7476 Intermediate Similarity NPC247220
0.7396 Intermediate Similarity NPC215474
0.7364 Intermediate Similarity NPC175585
0.7347 Intermediate Similarity NPC24733
0.732 Intermediate Similarity NPC477584
0.7283 Intermediate Similarity NPC476904
0.7282 Intermediate Similarity NPC476754
0.7273 Intermediate Similarity NPC166458
0.7253 Intermediate Similarity NPC21773
0.7222 Intermediate Similarity NPC474583
0.7216 Intermediate Similarity NPC283277
0.7196 Intermediate Similarity NPC474001
0.7184 Intermediate Similarity NPC476752
0.7184 Intermediate Similarity NPC476753
0.7168 Intermediate Similarity NPC56796
0.7156 Intermediate Similarity NPC119329
0.7128 Intermediate Similarity NPC7214
0.7113 Intermediate Similarity NPC257962
0.7075 Intermediate Similarity NPC167419
0.7 Intermediate Similarity NPC147513
0.6931 Remote Similarity NPC157479
0.6923 Remote Similarity NPC20610
0.6882 Remote Similarity NPC265789
0.6848 Remote Similarity NPC182815
0.6818 Remote Similarity NPC471083
0.68 Remote Similarity NPC171639
0.6789 Remote Similarity NPC275686
0.6786 Remote Similarity NPC195841
0.6786 Remote Similarity NPC233256
0.6774 Remote Similarity NPC159577
0.6774 Remote Similarity NPC35734
0.6774 Remote Similarity NPC282593
0.6768 Remote Similarity NPC329782
0.6768 Remote Similarity NPC152039
0.6768 Remote Similarity NPC118329
0.6702 Remote Similarity NPC470078
0.6702 Remote Similarity NPC115023
0.67 Remote Similarity NPC477583
0.67 Remote Similarity NPC472312
0.6667 Remote Similarity NPC125828
0.6667 Remote Similarity NPC50815
0.6667 Remote Similarity NPC34811
0.6667 Remote Similarity NPC75810
0.6632 Remote Similarity NPC303613
0.6632 Remote Similarity NPC251705
0.6632 Remote Similarity NPC474228
0.6607 Remote Similarity NPC90538
0.66 Remote Similarity NPC477582
0.66 Remote Similarity NPC90150
0.6596 Remote Similarity NPC477856
0.6596 Remote Similarity NPC214770
0.6596 Remote Similarity NPC307176
0.6566 Remote Similarity NPC211322
0.6552 Remote Similarity NPC328052
0.6535 Remote Similarity NPC477581
0.6526 Remote Similarity NPC234707
0.6522 Remote Similarity NPC323005
0.6518 Remote Similarity NPC476755
0.6518 Remote Similarity NPC247060
0.6514 Remote Similarity NPC476903
0.65 Remote Similarity NPC250632
0.65 Remote Similarity NPC12035
0.6495 Remote Similarity NPC293803
0.6491 Remote Similarity NPC86906
0.6491 Remote Similarity NPC55462
0.6489 Remote Similarity NPC245223
0.6489 Remote Similarity NPC139397
0.6486 Remote Similarity NPC239768
0.6486 Remote Similarity NPC128698
0.6481 Remote Similarity NPC243985
0.6481 Remote Similarity NPC280710
0.646 Remote Similarity NPC98765
0.6458 Remote Similarity NPC470045
0.6458 Remote Similarity NPC470044
0.6441 Remote Similarity NPC469968
0.6441 Remote Similarity NPC80834
0.6436 Remote Similarity NPC474122
0.6435 Remote Similarity NPC169375
0.6429 Remote Similarity NPC69408
0.6421 Remote Similarity NPC260040
0.6421 Remote Similarity NPC2634
0.6421 Remote Similarity NPC265782
0.6421 Remote Similarity NPC40574
0.6421 Remote Similarity NPC251929
0.641 Remote Similarity NPC63511
0.6404 Remote Similarity NPC475239
0.6392 Remote Similarity NPC255021
0.6392 Remote Similarity NPC309852
0.6381 Remote Similarity NPC43308
0.6379 Remote Similarity NPC476918
0.6354 Remote Similarity NPC305501
0.6354 Remote Similarity NPC54123
0.6354 Remote Similarity NPC110615
0.6348 Remote Similarity NPC476328
0.633 Remote Similarity NPC477290
0.6316 Remote Similarity NPC138409
0.6316 Remote Similarity NPC474563
0.6311 Remote Similarity NPC474006
0.6306 Remote Similarity NPC240650
0.6304 Remote Similarity NPC469662
0.63 Remote Similarity NPC470052
0.63 Remote Similarity NPC82635
0.6283 Remote Similarity NPC34193
0.6271 Remote Similarity NPC472359
0.6239 Remote Similarity NPC93027
0.6239 Remote Similarity NPC476276
0.623 Remote Similarity NPC473573
0.6218 Remote Similarity NPC79238
0.6211 Remote Similarity NPC39157
0.6211 Remote Similarity NPC296697
0.6211 Remote Similarity NPC82477
0.6211 Remote Similarity NPC142754
0.6207 Remote Similarity NPC476926
0.6207 Remote Similarity NPC36497
0.62 Remote Similarity NPC91665
0.6196 Remote Similarity NPC197238
0.6196 Remote Similarity NPC202118
0.6176 Remote Similarity NPC474509
0.617 Remote Similarity NPC96812
0.617 Remote Similarity NPC107704
0.617 Remote Similarity NPC39462
0.617 Remote Similarity NPC168824
0.617 Remote Similarity NPC43300
0.617 Remote Similarity NPC189917
0.6162 Remote Similarity NPC255650
0.6162 Remote Similarity NPC473171
0.6154 Remote Similarity NPC244982
0.6154 Remote Similarity NPC475800
0.6154 Remote Similarity NPC476756
0.6146 Remote Similarity NPC286814
0.6134 Remote Similarity NPC472313
0.6129 Remote Similarity NPC35037
0.6126 Remote Similarity NPC311164
0.6126 Remote Similarity NPC272732
0.6121 Remote Similarity NPC476921
0.6117 Remote Similarity NPC147066
0.6106 Remote Similarity NPC91604
0.6105 Remote Similarity NPC20181
0.6105 Remote Similarity NPC176107
0.6105 Remote Similarity NPC220210
0.6102 Remote Similarity NPC24596
0.6102 Remote Similarity NPC307903
0.6102 Remote Similarity NPC140251
0.61 Remote Similarity NPC476308
0.6083 Remote Similarity NPC474459
0.6082 Remote Similarity NPC473442
0.6082 Remote Similarity NPC120167
0.6078 Remote Similarity NPC170793
0.6078 Remote Similarity NPC90965
0.6078 Remote Similarity NPC215843
0.6071 Remote Similarity NPC476449
0.6068 Remote Similarity NPC185929
0.6066 Remote Similarity NPC470540
0.6061 Remote Similarity NPC474797
0.6061 Remote Similarity NPC329866
0.6061 Remote Similarity NPC474796
0.6058 Remote Similarity NPC224072
0.6058 Remote Similarity NPC320514
0.6058 Remote Similarity NPC472239
0.6058 Remote Similarity NPC153007
0.6055 Remote Similarity NPC474964
0.6055 Remote Similarity NPC477288
0.6055 Remote Similarity NPC84171
0.6053 Remote Similarity NPC477964
0.605 Remote Similarity NPC474725
0.604 Remote Similarity NPC470557
0.6038 Remote Similarity NPC76283
0.6038 Remote Similarity NPC470223
0.6034 Remote Similarity NPC45365
0.6034 Remote Similarity NPC293299
0.6034 Remote Similarity NPC241879
0.6033 Remote Similarity NPC124358
0.6033 Remote Similarity NPC474452
0.6032 Remote Similarity NPC242692
0.602 Remote Similarity NPC223187
0.602 Remote Similarity NPC190035
0.6 Remote Similarity NPC470047
0.6 Remote Similarity NPC470046
0.6 Remote Similarity NPC476064
0.6 Remote Similarity NPC92327
0.6 Remote Similarity NPC77703
0.5984 Remote Similarity NPC472458
0.5981 Remote Similarity NPC470050
0.5981 Remote Similarity NPC470051
0.598 Remote Similarity NPC469996
0.5979 Remote Similarity NPC477857
0.5979 Remote Similarity NPC124384

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC140685 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
0.7624 Intermediate Similarity NPD5769 Clinical (unspecified phase)
0.6596 Remote Similarity NPD4747 Approved
0.6596 Remote Similarity NPD6939 Phase 2
0.6596 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6559 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6489 Remote Similarity NPD4137 Phase 3
0.6481 Remote Similarity NPD5771 Approved
0.6421 Remote Similarity NPD4691 Approved
0.6392 Remote Similarity NPD5733 Approved
0.6311 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6261 Remote Similarity NPD7812 Clinical (unspecified phase)
0.6238 Remote Similarity NPD7155 Clinical (unspecified phase)
0.6224 Remote Similarity NPD4058 Approved
0.6224 Remote Similarity NPD4687 Approved
0.6195 Remote Similarity NPD6404 Discontinued
0.6186 Remote Similarity NPD5276 Approved
0.6071 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6055 Remote Similarity NPD6934 Discontinued
0.6 Remote Similarity NPD6330 Clinical (unspecified phase)
0.598 Remote Similarity NPD4776 Phase 2
0.598 Remote Similarity NPD4777 Suspended
0.5943 Remote Similarity NPD4786 Approved
0.5932 Remote Similarity NPD7333 Discontinued
0.5905 Remote Similarity NPD4223 Phase 3
0.5905 Remote Similarity NPD4221 Approved
0.5893 Remote Similarity NPD5707 Approved
0.5888 Remote Similarity NPD5329 Approved
0.5872 Remote Similarity NPD4722 Approved
0.5872 Remote Similarity NPD4723 Approved
0.5868 Remote Similarity NPD6420 Discontinued
0.5854 Remote Similarity NPD8298 Phase 2
0.5833 Remote Similarity NPD6098 Approved
0.581 Remote Similarity NPD8028 Phase 2
0.5794 Remote Similarity NPD4197 Approved
0.5755 Remote Similarity NPD3667 Approved
0.5727 Remote Similarity NPD5737 Approved
0.5727 Remote Similarity NPD6903 Approved
0.5727 Remote Similarity NPD6672 Approved
0.5688 Remote Similarity NPD4693 Phase 3
0.5688 Remote Similarity NPD4689 Approved
0.5688 Remote Similarity NPD7521 Approved
0.5688 Remote Similarity NPD4690 Approved
0.5688 Remote Similarity NPD4138 Approved
0.5688 Remote Similarity NPD6409 Approved
0.5688 Remote Similarity NPD7146 Approved
0.5688 Remote Similarity NPD6684 Approved
0.5688 Remote Similarity NPD4688 Approved
0.5688 Remote Similarity NPD5330 Approved
0.5688 Remote Similarity NPD5205 Approved
0.5688 Remote Similarity NPD7334 Approved
0.5676 Remote Similarity NPD5328 Approved
0.5676 Remote Similarity NPD6673 Approved
0.5676 Remote Similarity NPD6904 Approved
0.5676 Remote Similarity NPD6080 Approved
0.5673 Remote Similarity NPD1402 Approved
0.5672 Remote Similarity NPD6914 Discontinued
0.5659 Remote Similarity NPD6909 Approved
0.5659 Remote Similarity NPD6908 Approved
0.5648 Remote Similarity NPD3668 Phase 3
0.5648 Remote Similarity NPD3666 Approved
0.5648 Remote Similarity NPD3665 Phase 1
0.5648 Remote Similarity NPD3133 Approved
0.5641 Remote Similarity NPD8418 Phase 2
0.5625 Remote Similarity NPD4096 Approved
0.5603 Remote Similarity NPD4657 Approved
0.5603 Remote Similarity NPD4655 Approved

Structure

External Identifiers

PubChem CID   15907380
ChEMBL   CHEMBL482404
ZINC  

Physicochemical Properties

Molecular Weight:  464.38
ALogP:  2.3049
MLogP:  4.54
XLogP:  6.731
# Rotatable Bonds:  11
Polar Surface Area:  32.67
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  34

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Similar NPs/Drugs