Natural Product: NPC281702

Natural Product ID:  NPC281702
Common Name:   Butyl Ganoderate B
IUPAC Name:   butyl (2R,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Synonyms:  
Molecular Formula:   C34H52O7
Standard InCHIKey:  OCEDEURDZRRULA-SXTUCIETSA-N
Standard InCHI:  InChI=1S/C34H52O7/c1-9-10-13-41-30(40)20(3)15-21(35)14-19(2)22-16-27(39)34(8)29-23(36)17-25-31(4,5)26(38)11-12-32(25,6)28(29)24(37)18-33(22,34)7/h19-20,22-23,25-26,36,38H,9-18H2,1-8H3/t19-,20-,22-,23+,25+,26+,32+,33-,34+/m1/s1
Canonical SMILES:  CCCCOC(=O)[C@@H](CC(=O)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)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 Nagano, Japan 2008-MAY PMID[20039640]
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota Fruiting bodies PMID[20702092]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT520 Cell Line 3T3-L1 Mus musculus Inhibition = 41 % 23398362
NPT520 Cell Line 3T3-L1 Mus musculus Inhibition = 22 % 23305465

  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 NPC281702 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
0.9787 High Similarity NPC299971
0.9787 High Similarity NPC307954
0.9787 High Similarity NPC144660
0.9681 High Similarity NPC16021
0.9574 High Similarity NPC122294
0.9468 High Similarity NPC7124
0.9394 High Similarity NPC473037
0.9381 High Similarity NPC234892
0.9362 High Similarity NPC297199
0.9216 High Similarity NPC115303
0.9184 High Similarity NPC293753
0.9167 High Similarity NPC106557
0.9167 High Similarity NPC121339
0.9118 High Similarity NPC129689
0.91 High Similarity NPC51452
0.9091 High Similarity NPC251017
0.9062 High Similarity NPC3772
0.9062 High Similarity NPC40765
0.9062 High Similarity NPC243525
0.902 High Similarity NPC77947
0.902 High Similarity NPC286174
0.9 High Similarity NPC28656
0.8969 High Similarity NPC320306
0.8958 High Similarity NPC255809
0.8958 High Similarity NPC37646
0.8932 High Similarity NPC272898
0.8932 High Similarity NPC473036
0.89 High Similarity NPC55872
0.8854 High Similarity NPC184870
0.8812 High Similarity NPC216245
0.8812 High Similarity NPC135854
0.8812 High Similarity NPC470251
0.8812 High Similarity NPC2436
0.88 High Similarity NPC56498
0.8788 High Similarity NPC88198
0.8788 High Similarity NPC51370
0.8788 High Similarity NPC327431
0.875 High Similarity NPC470254
0.8713 High Similarity NPC70967
0.8713 High Similarity NPC33973
0.8673 High Similarity NPC472941
0.8673 High Similarity NPC456
0.8646 High Similarity NPC233116
0.8646 High Similarity NPC107690
0.8614 High Similarity NPC53222
0.8611 High Similarity NPC472927
0.86 High Similarity NPC157787
0.86 High Similarity NPC205899
0.86 High Similarity NPC287833
0.8571 High Similarity NPC473648
0.8558 High Similarity NPC295244
0.8542 High Similarity NPC477149
0.8542 High Similarity NPC477147
0.8515 High Similarity NPC124211
0.8505 High Similarity NPC472929
0.85 High Similarity NPC10364
0.8491 Intermediate Similarity NPC472928
0.8485 Intermediate Similarity NPC95565
0.8485 Intermediate Similarity NPC328371
0.8485 Intermediate Similarity NPC125622
0.8469 Intermediate Similarity NPC471720
0.8455 Intermediate Similarity NPC472933
0.8454 Intermediate Similarity NPC297265
0.844 Intermediate Similarity NPC472934
0.8438 Intermediate Similarity NPC214387
0.8438 Intermediate Similarity NPC474889
0.8416 Intermediate Similarity NPC476274
0.84 Intermediate Similarity NPC18319
0.8384 Intermediate Similarity NPC241156
0.8384 Intermediate Similarity NPC318282
0.8384 Intermediate Similarity NPC469995
0.8384 Intermediate Similarity NPC317586
0.8384 Intermediate Similarity NPC470016
0.8384 Intermediate Similarity NPC69548
0.8384 Intermediate Similarity NPC184848
0.8384 Intermediate Similarity NPC174948
0.8384 Intermediate Similarity NPC271195
0.8384 Intermediate Similarity NPC173875
0.8365 Intermediate Similarity NPC323834
0.8351 Intermediate Similarity NPC111585
0.8351 Intermediate Similarity NPC175628
0.8351 Intermediate Similarity NPC469400
0.8351 Intermediate Similarity NPC148414
0.835 Intermediate Similarity NPC236390
0.8333 Intermediate Similarity NPC472924
0.8333 Intermediate Similarity NPC224720
0.8333 Intermediate Similarity NPC476240
0.8333 Intermediate Similarity NPC472926
0.8333 Intermediate Similarity NPC473514
0.8333 Intermediate Similarity NPC476223
0.8317 Intermediate Similarity NPC478056
0.8317 Intermediate Similarity NPC112753
0.8317 Intermediate Similarity NPC275439
0.8298 Intermediate Similarity NPC209882
0.8286 Intermediate Similarity NPC472925
0.8283 Intermediate Similarity NPC474922
0.8283 Intermediate Similarity NPC159410
0.8283 Intermediate Similarity NPC469406
0.8283 Intermediate Similarity NPC166906
0.8265 Intermediate Similarity NPC63748
0.8265 Intermediate Similarity NPC26888
0.8252 Intermediate Similarity NPC204450
0.8252 Intermediate Similarity NPC195290
0.8252 Intermediate Similarity NPC308726
0.8252 Intermediate Similarity NPC119601
0.8252 Intermediate Similarity NPC136289
0.8241 Intermediate Similarity NPC285956
0.8235 Intermediate Similarity NPC266955
0.8235 Intermediate Similarity NPC154072
0.8224 Intermediate Similarity NPC286880
0.8224 Intermediate Similarity NPC470496
0.8218 Intermediate Similarity NPC108078
0.8218 Intermediate Similarity NPC43747
0.8218 Intermediate Similarity NPC216904
0.8218 Intermediate Similarity NPC253826
0.8218 Intermediate Similarity NPC141401
0.8218 Intermediate Similarity NPC23680
0.8211 Intermediate Similarity NPC473038
0.82 Intermediate Similarity NPC279974
0.8191 Intermediate Similarity NPC271784
0.8191 Intermediate Similarity NPC469561
0.819 Intermediate Similarity NPC472935
0.8182 Intermediate Similarity NPC107674
0.8182 Intermediate Similarity NPC141497
0.8182 Intermediate Similarity NPC69454
0.8182 Intermediate Similarity NPC38232
0.8182 Intermediate Similarity NPC170220
0.8182 Intermediate Similarity NPC25750
0.8173 Intermediate Similarity NPC478057
0.8173 Intermediate Similarity NPC471208
0.8165 Intermediate Similarity NPC250109
0.8165 Intermediate Similarity NPC962
0.8163 Intermediate Similarity NPC20388
0.8163 Intermediate Similarity NPC471896
0.8155 Intermediate Similarity NPC115862
0.8155 Intermediate Similarity NPC115899
0.8155 Intermediate Similarity NPC81530
0.8155 Intermediate Similarity NPC302537
0.8155 Intermediate Similarity NPC163372
0.8155 Intermediate Similarity NPC99411
0.8144 Intermediate Similarity NPC242864
0.8137 Intermediate Similarity NPC103051
0.8137 Intermediate Similarity NPC48647
0.8137 Intermediate Similarity NPC477813
0.8125 Intermediate Similarity NPC72133
0.8125 Intermediate Similarity NPC28252
0.8125 Intermediate Similarity NPC55309
0.8119 Intermediate Similarity NPC305483
0.8119 Intermediate Similarity NPC96859
0.8119 Intermediate Similarity NPC328162
0.8119 Intermediate Similarity NPC120708
0.8119 Intermediate Similarity NPC249954
0.8095 Intermediate Similarity NPC96268
0.8081 Intermediate Similarity NPC110657
0.8081 Intermediate Similarity NPC23434
0.8081 Intermediate Similarity NPC473998
0.8081 Intermediate Similarity NPC212301
0.8081 Intermediate Similarity NPC86266
0.8081 Intermediate Similarity NPC73457
0.8077 Intermediate Similarity NPC22388
0.8077 Intermediate Similarity NPC165250
0.8077 Intermediate Similarity NPC475558
0.8077 Intermediate Similarity NPC473788
0.8073 Intermediate Similarity NPC264634
0.8073 Intermediate Similarity NPC147180
0.8061 Intermediate Similarity NPC473999
0.8061 Intermediate Similarity NPC309603
0.8058 Intermediate Similarity NPC198880
0.8058 Intermediate Similarity NPC316964
0.8058 Intermediate Similarity NPC251680
0.8056 Intermediate Similarity NPC197428
0.8053 Intermediate Similarity NPC109973
0.8041 Intermediate Similarity NPC159046
0.8041 Intermediate Similarity NPC233836
0.8041 Intermediate Similarity NPC187376
0.8041 Intermediate Similarity NPC99909
0.8039 Intermediate Similarity NPC121402
0.8039 Intermediate Similarity NPC151681
0.8039 Intermediate Similarity NPC475894
0.8039 Intermediate Similarity NPC224356
0.8039 Intermediate Similarity NPC175351
0.8039 Intermediate Similarity NPC132753
0.8037 Intermediate Similarity NPC472218
0.8037 Intermediate Similarity NPC472219
0.8037 Intermediate Similarity NPC472217
0.802 Intermediate Similarity NPC200702
0.802 Intermediate Similarity NPC48330
0.802 Intermediate Similarity NPC259286
0.8018 Intermediate Similarity NPC266728
0.8018 Intermediate Similarity NPC49492
0.8 Intermediate Similarity NPC159442
0.8 Intermediate Similarity NPC470224
0.8 Intermediate Similarity NPC249187
0.8 Intermediate Similarity NPC52634
0.8 Intermediate Similarity NPC247957
0.8 Intermediate Similarity NPC214697
0.8 Intermediate Similarity NPC95899
0.8 Intermediate Similarity NPC472930
0.8 Intermediate Similarity NPC27918
0.8 Intermediate Similarity NPC36688

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC281702 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
0.8058 Intermediate Similarity NPD7639 Approved
0.8058 Intermediate Similarity NPD7640 Approved
0.8 Intermediate Similarity NPD6399 Phase 3
0.7961 Intermediate Similarity NPD7638 Approved
0.7905 Intermediate Similarity NPD7632 Discontinued
0.7864 Intermediate Similarity NPD7902 Approved
0.7798 Intermediate Similarity NPD6373 Approved
0.7798 Intermediate Similarity NPD6372 Approved
0.7755 Intermediate Similarity NPD3618 Phase 1
0.7745 Intermediate Similarity NPD7748 Approved
0.7723 Intermediate Similarity NPD8035 Phase 2
0.7723 Intermediate Similarity NPD8034 Phase 2
0.77 Intermediate Similarity NPD5328 Approved
0.7685 Intermediate Similarity NPD7128 Approved
0.7685 Intermediate Similarity NPD5739 Approved
0.7685 Intermediate Similarity NPD6402 Approved
0.7685 Intermediate Similarity NPD6675 Approved
0.7658 Intermediate Similarity NPD6650 Approved
0.7658 Intermediate Similarity NPD6649 Approved
0.7632 Intermediate Similarity NPD7115 Discovery
0.7619 Intermediate Similarity NPD5696 Approved
0.7596 Intermediate Similarity NPD4697 Phase 3
0.7573 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD7900 Approved
0.7549 Intermediate Similarity NPD6079 Approved
0.7549 Intermediate Similarity NPD7515 Phase 2
0.7545 Intermediate Similarity NPD6899 Approved
0.7545 Intermediate Similarity NPD6881 Approved
0.7545 Intermediate Similarity NPD7320 Approved
0.7524 Intermediate Similarity NPD6084 Phase 2
0.7524 Intermediate Similarity NPD6083 Phase 2
0.75 Intermediate Similarity NPD8130 Phase 1
0.75 Intermediate Similarity NPD5695 Phase 3
0.7477 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD5697 Approved
0.7455 Intermediate Similarity NPD5701 Approved
0.7434 Intermediate Similarity NPD8297 Approved
0.7426 Intermediate Similarity NPD5737 Approved
0.7426 Intermediate Similarity NPD6672 Approved
0.7411 Intermediate Similarity NPD7102 Approved
0.7411 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD6883 Approved
0.7411 Intermediate Similarity NPD7290 Approved
0.74 Intermediate Similarity NPD6684 Approved
0.74 Intermediate Similarity NPD7334 Approved
0.74 Intermediate Similarity NPD7146 Approved
0.74 Intermediate Similarity NPD7521 Approved
0.74 Intermediate Similarity NPD6409 Approved
0.74 Intermediate Similarity NPD5330 Approved
0.7387 Intermediate Similarity NPD6011 Approved
0.7374 Intermediate Similarity NPD4786 Approved
0.7364 Intermediate Similarity NPD6008 Approved
0.7345 Intermediate Similarity NPD6869 Approved
0.7345 Intermediate Similarity NPD6847 Approved
0.7345 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD6617 Approved
0.7333 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6013 Approved
0.7321 Intermediate Similarity NPD6012 Approved
0.7321 Intermediate Similarity NPD6014 Approved
0.7308 Intermediate Similarity NPD4202 Approved
0.73 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD6114 Approved
0.7292 Intermediate Similarity NPD6118 Approved
0.7292 Intermediate Similarity NPD6697 Approved
0.7292 Intermediate Similarity NPD6115 Approved
0.7281 Intermediate Similarity NPD6882 Approved
0.7264 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD5222 Approved
0.7264 Intermediate Similarity NPD5221 Approved
0.7255 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD6903 Approved
0.7248 Intermediate Similarity NPD5211 Phase 2
0.7228 Intermediate Similarity NPD5279 Phase 3
0.7217 Intermediate Similarity NPD4632 Approved
0.7212 Intermediate Similarity NPD5281 Approved
0.7212 Intermediate Similarity NPD5284 Approved
0.72 Intermediate Similarity NPD3665 Phase 1
0.72 Intermediate Similarity NPD3133 Approved
0.72 Intermediate Similarity NPD3666 Approved
0.7196 Intermediate Similarity NPD5173 Approved
0.7196 Intermediate Similarity NPD4755 Approved
0.7172 Intermediate Similarity NPD3667 Approved
0.717 Intermediate Similarity NPD4629 Approved
0.717 Intermediate Similarity NPD5210 Approved
0.7143 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD1694 Approved
0.7117 Intermediate Similarity NPD5141 Approved
0.7094 Intermediate Similarity NPD6868 Approved
0.7083 Intermediate Similarity NPD6117 Approved
0.7064 Intermediate Similarity NPD5285 Approved
0.7064 Intermediate Similarity NPD4700 Approved
0.7064 Intermediate Similarity NPD5286 Approved
0.7064 Intermediate Similarity NPD4696 Approved
0.7059 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6050 Approved
0.7034 Intermediate Similarity NPD6009 Approved
0.7019 Intermediate Similarity NPD6673 Approved
0.7019 Intermediate Similarity NPD6080 Approved
0.7019 Intermediate Similarity NPD4753 Phase 2
0.7019 Intermediate Similarity NPD6904 Approved
0.701 Intermediate Similarity NPD6116 Phase 1
0.7 Intermediate Similarity NPD6319 Approved
0.7 Intermediate Similarity NPD5223 Approved
0.6991 Remote Similarity NPD6412 Phase 2
0.6981 Remote Similarity NPD5778 Approved
0.6981 Remote Similarity NPD5779 Approved
0.6975 Remote Similarity NPD6335 Approved
0.6972 Remote Similarity NPD4225 Approved
0.6967 Remote Similarity NPD7604 Phase 2
0.6952 Remote Similarity NPD5207 Approved
0.6952 Remote Similarity NPD5692 Phase 3
0.6949 Remote Similarity NPD6274 Approved
0.6942 Remote Similarity NPD5983 Phase 2
0.6939 Remote Similarity NPD3617 Approved
0.6939 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5226 Approved
0.6937 Remote Similarity NPD4633 Approved
0.6937 Remote Similarity NPD5224 Approved
0.6937 Remote Similarity NPD5225 Approved
0.6935 Remote Similarity NPD8293 Discontinued
0.6917 Remote Similarity NPD7100 Approved
0.6917 Remote Similarity NPD7101 Approved
0.6916 Remote Similarity NPD6001 Approved
0.6911 Remote Similarity NPD7492 Approved
0.6891 Remote Similarity NPD6317 Approved
0.6887 Remote Similarity NPD5694 Approved
0.6887 Remote Similarity NPD7637 Suspended
0.6887 Remote Similarity NPD5693 Phase 1
0.688 Remote Similarity NPD7736 Approved
0.6875 Remote Similarity NPD5174 Approved
0.6875 Remote Similarity NPD4754 Approved
0.6875 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5175 Approved
0.686 Remote Similarity NPD6054 Approved
0.686 Remote Similarity NPD6059 Approved
0.6855 Remote Similarity NPD6616 Approved
0.6855 Remote Similarity NPD7507 Approved
0.6855 Remote Similarity NPD6336 Discontinued
0.6838 Remote Similarity NPD6053 Discontinued
0.6833 Remote Similarity NPD6313 Approved
0.6833 Remote Similarity NPD6314 Approved
0.6832 Remote Similarity NPD4221 Approved
0.6832 Remote Similarity NPD4223 Phase 3
0.681 Remote Similarity NPD4634 Approved
0.6803 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6908 Approved
0.6803 Remote Similarity NPD6909 Approved
0.68 Remote Similarity NPD7078 Approved
0.6796 Remote Similarity NPD5329 Approved
0.6792 Remote Similarity NPD5785 Approved
0.6783 Remote Similarity NPD6686 Approved
0.6762 Remote Similarity NPD5208 Approved
0.6757 Remote Similarity NPD6404 Discontinued
0.6754 Remote Similarity NPD4767 Approved
0.6754 Remote Similarity NPD4768 Approved
0.6748 Remote Similarity NPD6370 Approved
0.6733 Remote Similarity NPD4692 Approved
0.6733 Remote Similarity NPD4139 Approved
0.6731 Remote Similarity NPD4694 Approved
0.6731 Remote Similarity NPD5690 Phase 2
0.6731 Remote Similarity NPD6098 Approved
0.6731 Remote Similarity NPD5280 Approved
0.6729 Remote Similarity NPD6411 Approved
0.6719 Remote Similarity NPD7260 Phase 2
0.6699 Remote Similarity NPD3668 Phase 3
0.6699 Remote Similarity NPD4197 Approved
0.6698 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6697 Remote Similarity NPD5654 Approved
0.6694 Remote Similarity NPD8328 Phase 3
0.6693 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD6081 Approved
0.6667 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6845 Suspended
0.6667 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3573 Approved
0.6667 Remote Similarity NPD6015 Approved
0.6638 Remote Similarity NPD5128 Approved
0.6638 Remote Similarity NPD5168 Approved
0.6638 Remote Similarity NPD4729 Approved
0.6638 Remote Similarity NPD4730 Approved
0.6636 Remote Similarity NPD7614 Phase 1
0.6636 Remote Similarity NPD7732 Phase 3
0.6635 Remote Similarity NPD5363 Approved
0.6634 Remote Similarity NPD7525 Registered
0.6633 Remote Similarity NPD3703 Phase 2
0.6613 Remote Similarity NPD5988 Approved
0.6612 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5362 Discontinued
0.6602 Remote Similarity NPD4788 Approved
0.6585 Remote Similarity NPD8294 Approved
0.6585 Remote Similarity NPD8377 Approved
0.6577 Remote Similarity NPD5959 Approved
0.6571 Remote Similarity NPD4690 Approved
0.6571 Remote Similarity NPD5786 Approved
0.6571 Remote Similarity NPD4519 Discontinued
0.6571 Remote Similarity NPD4623 Approved

Structure

External Identifiers

PubChem CID   46184562
ChEMBL   CHEMBL1223670
ZINC  

Physicochemical Properties

Molecular Weight:  572.37
ALogP:  -0.1774
MLogP:  4.43
XLogP:  3.543
# Rotatable Bonds:  20
Polar Surface Area:  117.97
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  41

Download Data

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Structure MOL file  
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Biological Activities  
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