Natural Product: NPC184870

Natural Product ID:  NPC184870
Common Name:   N-Butyl Lucidenate A
IUPAC Name:   butyl (4R)-4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Synonyms:   N-Butyl Lucidenate A
Molecular Formula:   C31H48O5
Standard InCHIKey:  PFVUOICHJASGEX-PRZQFCORSA-N
Standard InCHI:  InChI=1S/C31H48O5/c1-8-9-16-36-25(35)11-10-19(2)20-12-15-30(6)27-21(32)17-23-28(3,4)24(34)13-14-29(23,5)26(27)22(33)18-31(20,30)7/h19-21,23,32H,8-18H2,1-7H3/t19-,20-,21+,23+,29+,30+,31-/m1/s1
Canonical SMILES:  CCCCOC(=O)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2(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
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota fruiting bodies PMID[21924611]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 12260 nM 16124771
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 > 200000 nM 19687244

  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 NPC184870 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
0.9667 High Similarity NPC121339
0.9556 High Similarity NPC3772
0.9556 High Similarity NPC328371
0.9451 High Similarity NPC18319
0.9451 High Similarity NPC106557
0.9444 High Similarity NPC173875
0.9444 High Similarity NPC37646
0.9444 High Similarity NPC469995
0.9444 High Similarity NPC174948
0.9444 High Similarity NPC318282
0.9438 High Similarity NPC470254
0.9341 High Similarity NPC243525
0.9341 High Similarity NPC40765
0.9341 High Similarity NPC7124
0.9326 High Similarity NPC107690
0.9255 High Similarity NPC56498
0.9247 High Similarity NPC205899
0.9213 High Similarity NPC477149
0.9213 High Similarity NPC477147
0.914 High Similarity NPC10364
0.9101 High Similarity NPC214387
0.9053 High Similarity NPC308726
0.9053 High Similarity NPC119601
0.9043 High Similarity NPC51370
0.9043 High Similarity NPC287833
0.9043 High Similarity NPC307954
0.9022 High Similarity NPC317586
0.9022 High Similarity NPC470016
0.9011 High Similarity NPC472930
0.8958 High Similarity NPC236390
0.8947 High Similarity NPC163372
0.8947 High Similarity NPC472924
0.8947 High Similarity NPC302537
0.8936 High Similarity NPC471717
0.8936 High Similarity NPC197386
0.8925 High Similarity NPC472941
0.8925 High Similarity NPC456
0.8913 High Similarity NPC166906
0.8901 High Similarity NPC63748
0.8878 High Similarity NPC473037
0.8866 High Similarity NPC28656
0.8854 High Similarity NPC195290
0.8854 High Similarity NPC204450
0.8854 High Similarity NPC281702
0.8842 High Similarity NPC144660
0.8842 High Similarity NPC476274
0.8842 High Similarity NPC299971
0.883 High Similarity NPC122294
0.883 High Similarity NPC320306
0.8817 High Similarity NPC255809
0.8804 High Similarity NPC25750
0.8804 High Similarity NPC69454
0.8791 High Similarity NPC20388
0.8763 High Similarity NPC55872
0.8763 High Similarity NPC251017
0.875 High Similarity NPC476240
0.875 High Similarity NPC476223
0.875 High Similarity NPC224720
0.8737 High Similarity NPC16021
0.8723 High Similarity NPC95565
0.8723 High Similarity NPC96859
0.8723 High Similarity NPC305483
0.8723 High Similarity NPC249954
0.8723 High Similarity NPC328162
0.8723 High Similarity NPC125622
0.87 High Similarity NPC77947
0.87 High Similarity NPC286174
0.866 High Similarity NPC136289
0.8646 High Similarity NPC327431
0.8646 High Similarity NPC88198
0.8617 High Similarity NPC259286
0.8617 High Similarity NPC472932
0.8617 High Similarity NPC241156
0.8614 High Similarity NPC129689
0.8614 High Similarity NPC272898
0.8614 High Similarity NPC473036
0.8587 High Similarity NPC469400
0.8587 High Similarity NPC289213
0.8586 High Similarity NPC51452
0.8586 High Similarity NPC323834
0.8571 High Similarity NPC33973
0.8571 High Similarity NPC143767
0.8571 High Similarity NPC131470
0.8571 High Similarity NPC70967
0.8557 High Similarity NPC99411
0.8557 High Similarity NPC81530
0.8556 High Similarity NPC322159
0.8542 High Similarity NPC235464
0.8542 High Similarity NPC166745
0.8539 High Similarity NPC109512
0.8529 High Similarity NPC115303
0.8511 High Similarity NPC471720
0.8511 High Similarity NPC469406
0.85 High Similarity NPC472925
0.8495 Intermediate Similarity NPC233116
0.8485 Intermediate Similarity NPC135854
0.8485 Intermediate Similarity NPC2436
0.8485 Intermediate Similarity NPC216245
0.8485 Intermediate Similarity NPC470251
0.8478 Intermediate Similarity NPC275740
0.8478 Intermediate Similarity NPC474889
0.8478 Intermediate Similarity NPC86319
0.8478 Intermediate Similarity NPC123912
0.8469 Intermediate Similarity NPC234892
0.8469 Intermediate Similarity NPC293753
0.8454 Intermediate Similarity NPC477521
0.8454 Intermediate Similarity NPC316964
0.8454 Intermediate Similarity NPC157787
0.8444 Intermediate Similarity NPC474083
0.8444 Intermediate Similarity NPC473038
0.8438 Intermediate Similarity NPC43747
0.8438 Intermediate Similarity NPC253826
0.8438 Intermediate Similarity NPC475894
0.8431 Intermediate Similarity NPC37116
0.8421 Intermediate Similarity NPC476174
0.8421 Intermediate Similarity NPC297199
0.8416 Intermediate Similarity NPC295244
0.8404 Intermediate Similarity NPC206810
0.8404 Intermediate Similarity NPC243866
0.8387 Intermediate Similarity NPC111585
0.8387 Intermediate Similarity NPC148414
0.8387 Intermediate Similarity NPC48010
0.8387 Intermediate Similarity NPC175628
0.8387 Intermediate Similarity NPC183283
0.837 Intermediate Similarity NPC242864
0.8367 Intermediate Similarity NPC124211
0.8365 Intermediate Similarity NPC472926
0.8352 Intermediate Similarity NPC28252
0.8352 Intermediate Similarity NPC72133
0.8352 Intermediate Similarity NPC55309
0.8351 Intermediate Similarity NPC478056
0.8333 Intermediate Similarity NPC473246
0.8333 Intermediate Similarity NPC165064
0.8333 Intermediate Similarity NPC42042
0.8317 Intermediate Similarity NPC91034
0.8317 Intermediate Similarity NPC475294
0.8298 Intermediate Similarity NPC150383
0.8298 Intermediate Similarity NPC473998
0.8298 Intermediate Similarity NPC297265
0.8298 Intermediate Similarity NPC26888
0.8283 Intermediate Similarity NPC53222
0.8283 Intermediate Similarity NPC473424
0.828 Intermediate Similarity NPC54689
0.828 Intermediate Similarity NPC309603
0.828 Intermediate Similarity NPC473999
0.8265 Intermediate Similarity NPC471041
0.8265 Intermediate Similarity NPC241221
0.8265 Intermediate Similarity NPC218383
0.8265 Intermediate Similarity NPC266955
0.8261 Intermediate Similarity NPC136948
0.8261 Intermediate Similarity NPC99909
0.8261 Intermediate Similarity NPC159046
0.8261 Intermediate Similarity NPC187376
0.8261 Intermediate Similarity NPC233836
0.8247 Intermediate Similarity NPC141401
0.8247 Intermediate Similarity NPC107243
0.8242 Intermediate Similarity NPC471224
0.8229 Intermediate Similarity NPC473648
0.8229 Intermediate Similarity NPC48330
0.8229 Intermediate Similarity NPC69548
0.8229 Intermediate Similarity NPC200702
0.8229 Intermediate Similarity NPC469599
0.8229 Intermediate Similarity NPC184848
0.8222 Intermediate Similarity NPC470015
0.8222 Intermediate Similarity NPC271784
0.8222 Intermediate Similarity NPC168188
0.8211 Intermediate Similarity NPC271652
0.8211 Intermediate Similarity NPC214697
0.8211 Intermediate Similarity NPC477435
0.8211 Intermediate Similarity NPC477436
0.8211 Intermediate Similarity NPC38232
0.8191 Intermediate Similarity NPC472307
0.8191 Intermediate Similarity NPC471896
0.819 Intermediate Similarity NPC250109
0.819 Intermediate Similarity NPC962
0.819 Intermediate Similarity NPC472929
0.8182 Intermediate Similarity NPC115899
0.8182 Intermediate Similarity NPC474327
0.8173 Intermediate Similarity NPC472928
0.8172 Intermediate Similarity NPC471722
0.8172 Intermediate Similarity NPC328539
0.8163 Intermediate Similarity NPC48647
0.8163 Intermediate Similarity NPC114274
0.8144 Intermediate Similarity NPC301534
0.8144 Intermediate Similarity NPC120708
0.8144 Intermediate Similarity NPC155676
0.8144 Intermediate Similarity NPC471039
0.8144 Intermediate Similarity NPC29152
0.8144 Intermediate Similarity NPC250757
0.8144 Intermediate Similarity NPC173272
0.8144 Intermediate Similarity NPC471463
0.8137 Intermediate Similarity NPC471783
0.8137 Intermediate Similarity NPC9457
0.8132 Intermediate Similarity NPC209882
0.8132 Intermediate Similarity NPC164577
0.8132 Intermediate Similarity NPC214043
0.8132 Intermediate Similarity NPC85774
0.8131 Intermediate Similarity NPC472927
0.8125 Intermediate Similarity NPC474554
0.8125 Intermediate Similarity NPC8993

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC184870 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
0.828 Intermediate Similarity NPD5328 Approved
0.8218 Intermediate Similarity NPD6675 Approved
0.8218 Intermediate Similarity NPD5739 Approved
0.8218 Intermediate Similarity NPD7128 Approved
0.8218 Intermediate Similarity NPD6402 Approved
0.8105 Intermediate Similarity NPD6079 Approved
0.8061 Intermediate Similarity NPD6084 Phase 2
0.8061 Intermediate Similarity NPD6083 Phase 2
0.8058 Intermediate Similarity NPD6881 Approved
0.8058 Intermediate Similarity NPD7320 Approved
0.8058 Intermediate Similarity NPD6899 Approved
0.8041 Intermediate Similarity NPD5695 Phase 3
0.8021 Intermediate Similarity NPD6399 Phase 3
0.7981 Intermediate Similarity NPD6373 Approved
0.7981 Intermediate Similarity NPD6372 Approved
0.7979 Intermediate Similarity NPD5737 Approved
0.7979 Intermediate Similarity NPD6672 Approved
0.7961 Intermediate Similarity NPD5701 Approved
0.7961 Intermediate Similarity NPD5697 Approved
0.7957 Intermediate Similarity NPD6409 Approved
0.7957 Intermediate Similarity NPD6684 Approved
0.7957 Intermediate Similarity NPD5330 Approved
0.7957 Intermediate Similarity NPD7146 Approved
0.7957 Intermediate Similarity NPD7521 Approved
0.7957 Intermediate Similarity NPD7334 Approved
0.7905 Intermediate Similarity NPD6883 Approved
0.7905 Intermediate Similarity NPD7290 Approved
0.7905 Intermediate Similarity NPD7102 Approved
0.79 Intermediate Similarity NPD7640 Approved
0.79 Intermediate Similarity NPD7639 Approved
0.7885 Intermediate Similarity NPD6011 Approved
0.783 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.783 Intermediate Similarity NPD6650 Approved
0.783 Intermediate Similarity NPD6617 Approved
0.783 Intermediate Similarity NPD6649 Approved
0.783 Intermediate Similarity NPD6869 Approved
0.783 Intermediate Similarity NPD8130 Phase 1
0.783 Intermediate Similarity NPD6847 Approved
0.781 Intermediate Similarity NPD6013 Approved
0.781 Intermediate Similarity NPD6012 Approved
0.781 Intermediate Similarity NPD6014 Approved
0.78 Intermediate Similarity NPD7638 Approved
0.7789 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7789 Intermediate Similarity NPD6903 Approved
0.7778 Intermediate Similarity NPD4697 Phase 3
0.7778 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD5221 Approved
0.7778 Intermediate Similarity NPD5222 Approved
0.7766 Intermediate Similarity NPD5279 Phase 3
0.7766 Intermediate Similarity NPD3618 Phase 1
0.7757 Intermediate Similarity NPD6882 Approved
0.7757 Intermediate Similarity NPD8297 Approved
0.7755 Intermediate Similarity NPD7748 Approved
0.7745 Intermediate Similarity NPD7632 Discontinued
0.7745 Intermediate Similarity NPD5211 Phase 2
0.7742 Intermediate Similarity NPD3665 Phase 1
0.7742 Intermediate Similarity NPD3133 Approved
0.7742 Intermediate Similarity NPD4786 Approved
0.7742 Intermediate Similarity NPD3666 Approved
0.7732 Intermediate Similarity NPD7515 Phase 2
0.77 Intermediate Similarity NPD5173 Approved
0.77 Intermediate Similarity NPD4755 Approved
0.7636 Intermediate Similarity NPD7115 Discovery
0.7624 Intermediate Similarity NPD5696 Approved
0.7596 Intermediate Similarity NPD5141 Approved
0.7551 Intermediate Similarity NPD6050 Approved
0.7551 Intermediate Similarity NPD5281 Approved
0.7551 Intermediate Similarity NPD5284 Approved
0.7549 Intermediate Similarity NPD4700 Approved
0.7549 Intermediate Similarity NPD5285 Approved
0.7549 Intermediate Similarity NPD4696 Approved
0.7549 Intermediate Similarity NPD5286 Approved
0.7545 Intermediate Similarity NPD6868 Approved
0.7527 Intermediate Similarity NPD3667 Approved
0.7526 Intermediate Similarity NPD6673 Approved
0.7526 Intermediate Similarity NPD4753 Phase 2
0.7526 Intermediate Similarity NPD6080 Approved
0.7526 Intermediate Similarity NPD6904 Approved
0.7525 Intermediate Similarity NPD7902 Approved
0.75 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7476 Intermediate Similarity NPD5223 Approved
0.7475 Intermediate Similarity NPD4202 Approved
0.7474 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD3617 Approved
0.7449 Intermediate Similarity NPD5692 Phase 3
0.7411 Intermediate Similarity NPD6335 Approved
0.7404 Intermediate Similarity NPD5225 Approved
0.7404 Intermediate Similarity NPD5226 Approved
0.7404 Intermediate Similarity NPD5224 Approved
0.7404 Intermediate Similarity NPD4633 Approved
0.7387 Intermediate Similarity NPD6274 Approved
0.7374 Intermediate Similarity NPD5693 Phase 1
0.7374 Intermediate Similarity NPD8035 Phase 2
0.7374 Intermediate Similarity NPD5694 Approved
0.7374 Intermediate Similarity NPD6411 Approved
0.7374 Intermediate Similarity NPD8034 Phase 2
0.7364 Intermediate Similarity NPD4632 Approved
0.7358 Intermediate Similarity NPD6008 Approved
0.7345 Intermediate Similarity NPD7100 Approved
0.7345 Intermediate Similarity NPD7101 Approved
0.734 Intermediate Similarity NPD4221 Approved
0.734 Intermediate Similarity NPD4223 Phase 3
0.7333 Intermediate Similarity NPD5174 Approved
0.7333 Intermediate Similarity NPD5175 Approved
0.7333 Intermediate Similarity NPD4754 Approved
0.7321 Intermediate Similarity NPD6317 Approved
0.73 Intermediate Similarity NPD5779 Approved
0.73 Intermediate Similarity NPD5778 Approved
0.7292 Intermediate Similarity NPD1694 Approved
0.7292 Intermediate Similarity NPD5329 Approved
0.7273 Intermediate Similarity NPD6053 Discontinued
0.7273 Intermediate Similarity NPD5207 Approved
0.7257 Intermediate Similarity NPD6313 Approved
0.7257 Intermediate Similarity NPD6314 Approved
0.7253 Intermediate Similarity NPD6117 Approved
0.7245 Intermediate Similarity NPD5208 Approved
0.7234 Intermediate Similarity NPD4692 Approved
0.7234 Intermediate Similarity NPD4139 Approved
0.7228 Intermediate Similarity NPD7900 Approved
0.7228 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD6908 Approved
0.7217 Intermediate Similarity NPD6909 Approved
0.7216 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD4694 Approved
0.7216 Intermediate Similarity NPD6098 Approved
0.7216 Intermediate Similarity NPD5690 Phase 2
0.7216 Intermediate Similarity NPD5280 Approved
0.7212 Intermediate Similarity NPD6404 Discontinued
0.7196 Intermediate Similarity NPD4767 Approved
0.7196 Intermediate Similarity NPD4768 Approved
0.7188 Intermediate Similarity NPD4197 Approved
0.7174 Intermediate Similarity NPD6116 Phase 1
0.7172 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD6101 Approved
0.7168 Intermediate Similarity NPD6009 Approved
0.7158 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD5210 Approved
0.7157 Intermediate Similarity NPD5654 Approved
0.7157 Intermediate Similarity NPD4629 Approved
0.7156 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3573 Approved
0.713 Intermediate Similarity NPD6319 Approved
0.713 Intermediate Similarity NPD6412 Phase 2
0.71 Intermediate Similarity NPD5785 Approved
0.7097 Intermediate Similarity NPD6115 Approved
0.7097 Intermediate Similarity NPD6118 Approved
0.7097 Intermediate Similarity NPD6114 Approved
0.7097 Intermediate Similarity NPD6697 Approved
0.7094 Intermediate Similarity NPD7604 Phase 2
0.7083 Intermediate Similarity NPD4788 Approved
0.7083 Intermediate Similarity NPD5362 Discontinued
0.7069 Intermediate Similarity NPD5983 Phase 2
0.7069 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5168 Approved
0.7064 Intermediate Similarity NPD5128 Approved
0.7064 Intermediate Similarity NPD4730 Approved
0.7064 Intermediate Similarity NPD4729 Approved
0.7059 Intermediate Similarity NPD6001 Approved
0.7041 Intermediate Similarity NPD5205 Approved
0.7041 Intermediate Similarity NPD4138 Approved
0.7041 Intermediate Similarity NPD5786 Approved
0.7041 Intermediate Similarity NPD4689 Approved
0.7041 Intermediate Similarity NPD4688 Approved
0.7041 Intermediate Similarity NPD4690 Approved
0.7041 Intermediate Similarity NPD4623 Approved
0.7041 Intermediate Similarity NPD4693 Phase 3
0.7041 Intermediate Similarity NPD4519 Discontinued
0.7034 Intermediate Similarity NPD7492 Approved
0.7033 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7637 Suspended
0.7019 Intermediate Similarity NPD5959 Approved
0.701 Intermediate Similarity NPD3668 Phase 3
0.7 Intermediate Similarity NPD6051 Approved
0.6983 Remote Similarity NPD6054 Approved
0.6983 Remote Similarity NPD6059 Approved
0.6979 Remote Similarity NPD6435 Approved
0.6975 Remote Similarity NPD7507 Approved
0.6975 Remote Similarity NPD6616 Approved
0.6975 Remote Similarity NPD6336 Discontinued
0.6957 Remote Similarity NPD3702 Approved
0.6952 Remote Similarity NPD4225 Approved
0.6939 Remote Similarity NPD5363 Approved
0.6937 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5250 Approved
0.6937 Remote Similarity NPD5169 Approved
0.6937 Remote Similarity NPD5247 Approved
0.6937 Remote Similarity NPD5135 Approved
0.6937 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5251 Approved
0.6937 Remote Similarity NPD5249 Phase 3
0.6937 Remote Similarity NPD4634 Approved
0.6937 Remote Similarity NPD5248 Approved
0.6923 Remote Similarity NPD7614 Phase 1
0.6917 Remote Similarity NPD8293 Discontinued
0.6917 Remote Similarity NPD7078 Approved
0.6909 Remote Similarity NPD6686 Approved
0.6875 Remote Similarity NPD5217 Approved
0.6875 Remote Similarity NPD5215 Approved

Structure

External Identifiers

PubChem CID   57392136
ChEMBL   CHEMBL1915766
ZINC  

Physicochemical Properties

Molecular Weight:  500.35
ALogP:  1.1291
MLogP:  4.32
XLogP:  5.241
# Rotatable Bonds:  16
Polar Surface Area:  80.67
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  36

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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