Natural Product: NPC119493

Natural Product ID:  NPC119493
Common Name:   Methyl Ganoderate A Acetonide
IUPAC Name:  
Synonyms:   Methyl ganoderate A acetonide
Molecular Formula:   C34H50O7
Standard InCHIKey:  UPFROXHCAPHGNO-MHOQKGQJSA-N
Standard InCHI:  InChI=1S/C34H50O7/c1-18(13-20(35)14-19(2)29(38)39-10)21-15-26-34(9)28-23(40-31(5,6)41-26)16-24-30(3,4)25(37)11-12-32(24,7)27(28)22(36)17-33(21,34)8/h18-19,21,23-24,26H,11-17H2,1-10H3/t18-,19-,21-,23+,24+,26+,32+,33-,34+/m1/s1
Canonical SMILES:  COC(=O)[C@@H](CC(=O)C[C@H]([C@H]1C[C@H]2[C@@]3([C@]1(C)CC(=O)C1=C3[C@@H](OC(O2)(C)C)C[C@@H]2[C@]1(C)CCC(=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
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
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 > 200000 nM 16124771
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 18350 nM 10.1016/S0960-894X(97)00324-7

  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 NPC119493 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
0.8812 High Similarity NPC56498
0.8614 High Similarity NPC205899
0.8515 High Similarity NPC176845
0.8515 High Similarity NPC10364
0.8416 Intermediate Similarity NPC18319
0.8365 Intermediate Similarity NPC236390
0.8286 Intermediate Similarity NPC28656
0.8269 Intermediate Similarity NPC204450
0.8269 Intermediate Similarity NPC195290
0.82 Intermediate Similarity NPC25750
0.819 Intermediate Similarity NPC55872
0.8137 Intermediate Similarity NPC95565
0.8137 Intermediate Similarity NPC125622
0.8119 Intermediate Similarity NPC184870
0.8058 Intermediate Similarity NPC106557
0.8058 Intermediate Similarity NPC23680
0.8058 Intermediate Similarity NPC121339
0.8039 Intermediate Similarity NPC241156
0.802 Intermediate Similarity NPC470254
0.802 Intermediate Similarity NPC472225
0.802 Intermediate Similarity NPC472226
0.7981 Intermediate Similarity NPC275439
0.7981 Intermediate Similarity NPC112753
0.7961 Intermediate Similarity NPC243525
0.7961 Intermediate Similarity NPC40765
0.7961 Intermediate Similarity NPC328371
0.7961 Intermediate Similarity NPC3772
0.7944 Intermediate Similarity NPC189616
0.7928 Intermediate Similarity NPC221144
0.7921 Intermediate Similarity NPC107690
0.7885 Intermediate Similarity NPC216904
0.7864 Intermediate Similarity NPC469995
0.7864 Intermediate Similarity NPC173875
0.7864 Intermediate Similarity NPC37646
0.7864 Intermediate Similarity NPC174948
0.7864 Intermediate Similarity NPC318282
0.785 Intermediate Similarity NPC132395
0.785 Intermediate Similarity NPC471365
0.785 Intermediate Similarity NPC471364
0.783 Intermediate Similarity NPC310981
0.783 Intermediate Similarity NPC474327
0.783 Intermediate Similarity NPC99411
0.781 Intermediate Similarity NPC197386
0.7788 Intermediate Similarity NPC42042
0.7778 Intermediate Similarity NPC135854
0.7778 Intermediate Similarity NPC470251
0.7778 Intermediate Similarity NPC216245
0.7778 Intermediate Similarity NPC220478
0.7778 Intermediate Similarity NPC2436
0.7768 Intermediate Similarity NPC476163
0.7768 Intermediate Similarity NPC100267
0.7768 Intermediate Similarity NPC475524
0.7757 Intermediate Similarity NPC475320
0.7757 Intermediate Similarity NPC119601
0.7757 Intermediate Similarity NPC271266
0.7757 Intermediate Similarity NPC53222
0.7757 Intermediate Similarity NPC281702
0.7757 Intermediate Similarity NPC308351
0.7757 Intermediate Similarity NPC308726
0.7755 Intermediate Similarity NPC109512
0.7748 Intermediate Similarity NPC473627
0.7745 Intermediate Similarity NPC150383
0.7736 Intermediate Similarity NPC51370
0.7736 Intermediate Similarity NPC476933
0.7736 Intermediate Similarity NPC88198
0.7723 Intermediate Similarity NPC473039
0.7719 Intermediate Similarity NPC190286
0.7714 Intermediate Similarity NPC84335
0.7714 Intermediate Similarity NPC226986
0.7714 Intermediate Similarity NPC151488
0.7714 Intermediate Similarity NPC38530
0.7706 Intermediate Similarity NPC60681
0.7706 Intermediate Similarity NPC470267
0.7692 Intermediate Similarity NPC255809
0.7692 Intermediate Similarity NPC473369
0.7692 Intermediate Similarity NPC317586
0.7692 Intermediate Similarity NPC184848
0.7692 Intermediate Similarity NPC69548
0.7692 Intermediate Similarity NPC470016
0.7685 Intermediate Similarity NPC70967
0.7685 Intermediate Similarity NPC33973
0.7685 Intermediate Similarity NPC36321
0.7679 Intermediate Similarity NPC115303
0.7664 Intermediate Similarity NPC302537
0.7664 Intermediate Similarity NPC163372
0.7664 Intermediate Similarity NPC124211
0.7658 Intermediate Similarity NPC112457
0.7653 Intermediate Similarity NPC271784
0.7653 Intermediate Similarity NPC469561
0.7647 Intermediate Similarity NPC161638
0.7636 Intermediate Similarity NPC471601
0.7636 Intermediate Similarity NPC475294
0.7636 Intermediate Similarity NPC473037
0.7636 Intermediate Similarity NPC220974
0.7619 Intermediate Similarity NPC7124
0.7619 Intermediate Similarity NPC112654
0.76 Intermediate Similarity NPC195640
0.7596 Intermediate Similarity NPC471720
0.7596 Intermediate Similarity NPC166906
0.7593 Intermediate Similarity NPC136289
0.7593 Intermediate Similarity NPC80781
0.7589 Intermediate Similarity NPC473036
0.7589 Intermediate Similarity NPC129689
0.7589 Intermediate Similarity NPC37116
0.7589 Intermediate Similarity NPC272898
0.7589 Intermediate Similarity NPC470496
0.7589 Intermediate Similarity NPC197428
0.7586 Intermediate Similarity NPC153440
0.7586 Intermediate Similarity NPC291564
0.7586 Intermediate Similarity NPC257457
0.7586 Intermediate Similarity NPC113448
0.7586 Intermediate Similarity NPC311554
0.7576 Intermediate Similarity NPC71626
0.7573 Intermediate Similarity NPC221282
0.7573 Intermediate Similarity NPC65513
0.757 Intermediate Similarity NPC476274
0.757 Intermediate Similarity NPC144660
0.757 Intermediate Similarity NPC307954
0.757 Intermediate Similarity NPC287833
0.757 Intermediate Similarity NPC299971
0.757 Intermediate Similarity NPC157787
0.7568 Intermediate Similarity NPC61411
0.7568 Intermediate Similarity NPC470269
0.7565 Intermediate Similarity NPC148458
0.7551 Intermediate Similarity NPC327969
0.7551 Intermediate Similarity NPC321289
0.7549 Intermediate Similarity NPC474679
0.7549 Intermediate Similarity NPC284561
0.7549 Intermediate Similarity NPC54689
0.7549 Intermediate Similarity NPC177141
0.7547 Intermediate Similarity NPC292133
0.7547 Intermediate Similarity NPC151681
0.7547 Intermediate Similarity NPC121402
0.7547 Intermediate Similarity NPC224356
0.7547 Intermediate Similarity NPC132753
0.7547 Intermediate Similarity NPC110937
0.7547 Intermediate Similarity NPC204054
0.7547 Intermediate Similarity NPC69385
0.7547 Intermediate Similarity NPC175351
0.7547 Intermediate Similarity NPC257726
0.7545 Intermediate Similarity NPC127790
0.7545 Intermediate Similarity NPC51452
0.7545 Intermediate Similarity NPC181265
0.7524 Intermediate Similarity NPC470978
0.7524 Intermediate Similarity NPC469599
0.7524 Intermediate Similarity NPC473648
0.7524 Intermediate Similarity NPC472932
0.7524 Intermediate Similarity NPC280877
0.7524 Intermediate Similarity NPC470974
0.7524 Intermediate Similarity NPC33473
0.7523 Intermediate Similarity NPC254202
0.7523 Intermediate Similarity NPC251017
0.7523 Intermediate Similarity NPC471208
0.7523 Intermediate Similarity NPC470954
0.7521 Intermediate Similarity NPC475041
0.7521 Intermediate Similarity NPC270850
0.7521 Intermediate Similarity NPC5292
0.7521 Intermediate Similarity NPC305260
0.75 Intermediate Similarity NPC241456
0.75 Intermediate Similarity NPC239273
0.75 Intermediate Similarity NPC271652
0.75 Intermediate Similarity NPC323765
0.75 Intermediate Similarity NPC81530
0.75 Intermediate Similarity NPC473514
0.75 Intermediate Similarity NPC286174
0.75 Intermediate Similarity NPC79117
0.75 Intermediate Similarity NPC473384
0.75 Intermediate Similarity NPC476223
0.75 Intermediate Similarity NPC224720
0.75 Intermediate Similarity NPC241927
0.75 Intermediate Similarity NPC206810
0.75 Intermediate Similarity NPC77947
0.75 Intermediate Similarity NPC471571
0.75 Intermediate Similarity NPC32868
0.75 Intermediate Similarity NPC258543
0.75 Intermediate Similarity NPC476240
0.75 Intermediate Similarity NPC243866
0.748 Intermediate Similarity NPC213634
0.7478 Intermediate Similarity NPC123117
0.7477 Intermediate Similarity NPC153792
0.7477 Intermediate Similarity NPC166745
0.7477 Intermediate Similarity NPC477813
0.7477 Intermediate Similarity NPC91034
0.7477 Intermediate Similarity NPC235464
0.7477 Intermediate Similarity NPC471717
0.7477 Intermediate Similarity NPC271387
0.7477 Intermediate Similarity NPC476958
0.7477 Intermediate Similarity NPC252295
0.7477 Intermediate Similarity NPC222011
0.7477 Intermediate Similarity NPC16021
0.7476 Intermediate Similarity NPC152467
0.7476 Intermediate Similarity NPC477149
0.7476 Intermediate Similarity NPC469595
0.7476 Intermediate Similarity NPC212679
0.7476 Intermediate Similarity NPC220454
0.7476 Intermediate Similarity NPC477147
0.7458 Intermediate Similarity NPC79579
0.7458 Intermediate Similarity NPC474585
0.7456 Intermediate Similarity NPC285956
0.7456 Intermediate Similarity NPC71348

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119493 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
0.76 Intermediate Similarity NPD6409 Approved
0.76 Intermediate Similarity NPD7334 Approved
0.76 Intermediate Similarity NPD7146 Approved
0.76 Intermediate Similarity NPD6684 Approved
0.76 Intermediate Similarity NPD5330 Approved
0.76 Intermediate Similarity NPD7521 Approved
0.7545 Intermediate Similarity NPD6008 Approved
0.75 Intermediate Similarity NPD6372 Approved
0.75 Intermediate Similarity NPD6373 Approved
0.75 Intermediate Similarity NPD6399 Phase 3
0.7456 Intermediate Similarity NPD6882 Approved
0.7451 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD6903 Approved
0.7404 Intermediate Similarity NPD5693 Phase 1
0.7387 Intermediate Similarity NPD7128 Approved
0.7387 Intermediate Similarity NPD5739 Approved
0.7387 Intermediate Similarity NPD6402 Approved
0.7387 Intermediate Similarity NPD6675 Approved
0.7368 Intermediate Similarity NPD6650 Approved
0.7368 Intermediate Similarity NPD6649 Approved
0.7358 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD6053 Discontinued
0.7282 Intermediate Similarity NPD5737 Approved
0.7282 Intermediate Similarity NPD6672 Approved
0.7264 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD7900 Approved
0.7257 Intermediate Similarity NPD7320 Approved
0.7257 Intermediate Similarity NPD6899 Approved
0.7257 Intermediate Similarity NPD6881 Approved
0.7238 Intermediate Similarity NPD6050 Approved
0.7217 Intermediate Similarity NPD8130 Phase 1
0.7212 Intermediate Similarity NPD6904 Approved
0.7212 Intermediate Similarity NPD6673 Approved
0.7212 Intermediate Similarity NPD6080 Approved
0.7196 Intermediate Similarity NPD5695 Phase 3
0.7168 Intermediate Similarity NPD5697 Approved
0.7168 Intermediate Similarity NPD5701 Approved
0.7157 Intermediate Similarity NPD1694 Approved
0.7155 Intermediate Similarity NPD8297 Approved
0.7143 Intermediate Similarity NPD5207 Approved
0.7143 Intermediate Similarity NPD5692 Phase 3
0.713 Intermediate Similarity NPD7102 Approved
0.713 Intermediate Similarity NPD6883 Approved
0.713 Intermediate Similarity NPD7290 Approved
0.7105 Intermediate Similarity NPD6011 Approved
0.7075 Intermediate Similarity NPD5284 Approved
0.7075 Intermediate Similarity NPD5694 Approved
0.7075 Intermediate Similarity NPD5281 Approved
0.7069 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD6847 Approved
0.7069 Intermediate Similarity NPD6617 Approved
0.7069 Intermediate Similarity NPD6869 Approved
0.7064 Intermediate Similarity NPD6084 Phase 2
0.7064 Intermediate Similarity NPD7902 Approved
0.7064 Intermediate Similarity NPD6083 Phase 2
0.7048 Intermediate Similarity NPD6051 Approved
0.7043 Intermediate Similarity NPD6013 Approved
0.7043 Intermediate Similarity NPD6014 Approved
0.7043 Intermediate Similarity NPD6012 Approved
0.7016 Intermediate Similarity NPD7507 Approved
0.7 Intermediate Similarity NPD5696 Approved
0.7 Intermediate Similarity NPD7638 Approved
0.6952 Remote Similarity NPD5208 Approved
0.6944 Remote Similarity NPD6001 Approved
0.6937 Remote Similarity NPD7640 Approved
0.6937 Remote Similarity NPD7639 Approved
0.6923 Remote Similarity NPD6098 Approved
0.6917 Remote Similarity NPD7115 Discovery
0.6917 Remote Similarity NPD6009 Approved
0.6916 Remote Similarity NPD8034 Phase 2
0.6916 Remote Similarity NPD8035 Phase 2
0.6909 Remote Similarity NPD4755 Approved
0.6887 Remote Similarity NPD5328 Approved
0.6881 Remote Similarity NPD5654 Approved
0.687 Remote Similarity NPD5954 Clinical (unspecified phase)
0.687 Remote Similarity NPD6412 Phase 2
0.6863 Remote Similarity NPD4752 Clinical (unspecified phase)
0.685 Remote Similarity NPD7319 Approved
0.6825 Remote Similarity NPD8293 Discontinued
0.6818 Remote Similarity NPD4697 Phase 3
0.6814 Remote Similarity NPD7632 Discontinued
0.6814 Remote Similarity NPD5211 Phase 2
0.68 Remote Similarity NPD7492 Approved
0.6789 Remote Similarity NPD7748 Approved
0.6786 Remote Similarity NPD5286 Approved
0.6786 Remote Similarity NPD4700 Approved
0.6786 Remote Similarity NPD4696 Approved
0.6786 Remote Similarity NPD5285 Approved
0.6772 Remote Similarity NPD7736 Approved
0.6759 Remote Similarity NPD6079 Approved
0.6757 Remote Similarity NPD5959 Approved
0.6752 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6059 Approved
0.6748 Remote Similarity NPD6054 Approved
0.6746 Remote Similarity NPD6616 Approved
0.6731 Remote Similarity NPD3665 Phase 1
0.6731 Remote Similarity NPD3666 Approved
0.6731 Remote Similarity NPD3133 Approved
0.6726 Remote Similarity NPD5223 Approved
0.6721 Remote Similarity NPD6335 Approved
0.6697 Remote Similarity NPD4202 Approved
0.6696 Remote Similarity NPD5141 Approved
0.6695 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6694 Remote Similarity NPD6274 Approved
0.6693 Remote Similarity NPD7078 Approved
0.6667 Remote Similarity NPD7100 Approved
0.6667 Remote Similarity NPD5225 Approved
0.6667 Remote Similarity NPD5785 Approved
0.6667 Remote Similarity NPD5224 Approved
0.6667 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD4633 Approved
0.6667 Remote Similarity NPD6686 Approved
0.6667 Remote Similarity NPD5226 Approved
0.6667 Remote Similarity NPD7101 Approved
0.664 Remote Similarity NPD6370 Approved
0.6639 Remote Similarity NPD6317 Approved
0.6609 Remote Similarity NPD6052 Approved
0.6609 Remote Similarity NPD5175 Approved
0.6609 Remote Similarity NPD4754 Approved
0.6609 Remote Similarity NPD5174 Approved
0.6604 Remote Similarity NPD3618 Phase 1
0.6585 Remote Similarity NPD6314 Approved
0.6585 Remote Similarity NPD6313 Approved
0.6574 Remote Similarity NPD4753 Phase 2
0.6571 Remote Similarity NPD4786 Approved
0.656 Remote Similarity NPD6909 Approved
0.656 Remote Similarity NPD8033 Approved
0.656 Remote Similarity NPD6291 Clinical (unspecified phase)
0.656 Remote Similarity NPD6015 Approved
0.656 Remote Similarity NPD6016 Approved
0.656 Remote Similarity NPD6908 Approved
0.6542 Remote Similarity NPD3573 Approved
0.6538 Remote Similarity NPD4221 Approved
0.6538 Remote Similarity NPD4223 Phase 3
0.6531 Remote Similarity NPD5777 Approved
0.6518 Remote Similarity NPD5221 Approved
0.6518 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6518 Remote Similarity NPD5222 Approved
0.6509 Remote Similarity NPD5329 Approved
0.6508 Remote Similarity NPD5988 Approved
0.6496 Remote Similarity NPD4767 Approved
0.6496 Remote Similarity NPD4768 Approved
0.6489 Remote Similarity NPD7260 Phase 2
0.648 Remote Similarity NPD8377 Approved
0.648 Remote Similarity NPD6319 Approved
0.648 Remote Similarity NPD8294 Approved
0.6471 Remote Similarity NPD4061 Clinical (unspecified phase)
0.646 Remote Similarity NPD5173 Approved
0.6457 Remote Similarity NPD7604 Phase 2
0.6455 Remote Similarity NPD7515 Phase 2
0.6452 Remote Similarity NPD7327 Approved
0.6452 Remote Similarity NPD7328 Approved
0.6449 Remote Similarity NPD5786 Approved
0.6449 Remote Similarity NPD4694 Approved
0.6449 Remote Similarity NPD5690 Phase 2
0.6449 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6449 Remote Similarity NPD5280 Approved
0.6449 Remote Similarity NPD5279 Phase 3
0.6442 Remote Similarity NPD4139 Approved
0.6442 Remote Similarity NPD4692 Approved
0.6441 Remote Similarity NPD6614 Approved
0.6439 Remote Similarity NPD6845 Suspended
0.6429 Remote Similarity NPD7503 Approved
0.6429 Remote Similarity NPD5983 Phase 2
0.6429 Remote Similarity NPD8378 Approved
0.6429 Remote Similarity NPD8296 Approved
0.6429 Remote Similarity NPD8380 Approved
0.6429 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6429 Remote Similarity NPD8335 Approved
0.6429 Remote Similarity NPD8379 Approved
0.6429 Remote Similarity NPD5210 Approved
0.6429 Remote Similarity NPD4629 Approved
0.6423 Remote Similarity NPD6868 Approved
0.6415 Remote Similarity NPD3668 Phase 3
0.6415 Remote Similarity NPD4197 Approved
0.64 Remote Similarity NPD7516 Approved
0.6387 Remote Similarity NPD5128 Approved
0.6387 Remote Similarity NPD4730 Approved
0.6387 Remote Similarity NPD4729 Approved
0.6385 Remote Similarity NPD6033 Approved
0.6381 Remote Similarity NPD3667 Approved
0.6372 Remote Similarity NPD7732 Phase 3
0.6371 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6357 Remote Similarity NPD6336 Discontinued
0.6328 Remote Similarity NPD8328 Phase 3
0.6311 Remote Similarity NPD3617 Approved
0.6306 Remote Similarity NPD6411 Approved
0.6296 Remote Similarity NPD4689 Approved
0.6296 Remote Similarity NPD4138 Approved
0.6296 Remote Similarity NPD4688 Approved
0.6296 Remote Similarity NPD5205 Approved
0.6296 Remote Similarity NPD4690 Approved
0.6296 Remote Similarity NPD4693 Phase 3
0.6281 Remote Similarity NPD5135 Approved
0.6281 Remote Similarity NPD5248 Approved
0.6281 Remote Similarity NPD5247 Approved
0.6281 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6281 Remote Similarity NPD4634 Approved
0.6281 Remote Similarity NPD5251 Approved
0.6281 Remote Similarity NPD6371 Approved

Structure

External Identifiers

PubChem CID   57402629
ChEMBL   CHEMBL1915758
ZINC  

Physicochemical Properties

Molecular Weight:  570.36
ALogP:  1.7166
MLogP:  4.43
XLogP:  3.218
# Rotatable Bonds:  17
Polar Surface Area:  95.97
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  41

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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