Natural Product: NPC469561

Natural Product ID:  NPC469561
Common Name:   Methyl Ganoderate E
IUPAC Name:   methyl (6R)-2-methyl-4-oxo-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoate
Synonyms:   Methyl Ganoderate E
Molecular Formula:   C31H42O7
Standard InCHIKey:  PLCLICIRIHEOIB-YFGNPAJLSA-N
Standard InCHI:  InChI=1S/C31H42O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19,22H,9-15H2,1-8H3/t16-,17?,19-,22+,29+,30-,31+/m1/s1
Canonical SMILES:  COC(=O)C(CC(=O)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)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 Nagano, Japan 2008-MAY PMID[20039640]

  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 = 22 % 12444676

  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 NPC469561 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
0.9744 High Similarity NPC271784
0.9375 High Similarity NPC209882
0.9375 High Similarity NPC320801
0.9125 High Similarity NPC327969
0.9125 High Similarity NPC321289
0.9048 High Similarity NPC473039
0.9024 High Similarity NPC473038
0.8795 High Similarity NPC94531
0.8795 High Similarity NPC11711
0.8795 High Similarity NPC123319
0.8795 High Similarity NPC311702
0.8659 High Similarity NPC240302
0.8652 High Similarity NPC125622
0.8625 High Similarity NPC469996
0.8571 High Similarity NPC223187
0.8556 High Similarity NPC216904
0.8556 High Similarity NPC106557
0.8554 High Similarity NPC470015
0.8554 High Similarity NPC168188
0.8539 High Similarity NPC255809
0.8539 High Similarity NPC241156
0.8462 Intermediate Similarity NPC112753
0.8462 Intermediate Similarity NPC275439
0.8444 Intermediate Similarity NPC243525
0.8444 Intermediate Similarity NPC40765
0.8444 Intermediate Similarity NPC3772
0.8434 Intermediate Similarity NPC100297
0.837 Intermediate Similarity NPC144660
0.837 Intermediate Similarity NPC299971
0.837 Intermediate Similarity NPC88198
0.8352 Intermediate Similarity NPC121339
0.8352 Intermediate Similarity NPC23680
0.8333 Intermediate Similarity NPC37646
0.8315 Intermediate Similarity NPC25750
0.828 Intermediate Similarity NPC124211
0.8261 Intermediate Similarity NPC16021
0.8235 Intermediate Similarity NPC109512
0.8222 Intermediate Similarity NPC56525
0.8214 Intermediate Similarity NPC133391
0.8214 Intermediate Similarity NPC320514
0.8193 Intermediate Similarity NPC474956
0.8191 Intermediate Similarity NPC53222
0.8191 Intermediate Similarity NPC281702
0.8172 Intermediate Similarity NPC51370
0.8172 Intermediate Similarity NPC307954
0.8172 Intermediate Similarity NPC157787
0.8161 Intermediate Similarity NPC99909
0.8152 Intermediate Similarity NPC122294
0.814 Intermediate Similarity NPC470223
0.8111 Intermediate Similarity NPC470254
0.8111 Intermediate Similarity NPC472226
0.8111 Intermediate Similarity NPC472225
0.8105 Intermediate Similarity NPC33973
0.8105 Intermediate Similarity NPC70967
0.8095 Intermediate Similarity NPC477372
0.8095 Intermediate Similarity NPC38350
0.8095 Intermediate Similarity NPC201912
0.8049 Intermediate Similarity NPC472300
0.8046 Intermediate Similarity NPC195640
0.8043 Intermediate Similarity NPC456
0.8043 Intermediate Similarity NPC95565
0.8043 Intermediate Similarity NPC472941
0.8023 Intermediate Similarity NPC100391
0.8022 Intermediate Similarity NPC184870
0.8021 Intermediate Similarity NPC135854
0.8021 Intermediate Similarity NPC470251
0.8021 Intermediate Similarity NPC216245
0.8021 Intermediate Similarity NPC2436
0.8 Intermediate Similarity NPC260956
0.8 Intermediate Similarity NPC150383
0.8 Intermediate Similarity NPC234892
0.8 Intermediate Similarity NPC107690
0.8 Intermediate Similarity NPC297265
0.7979 Intermediate Similarity NPC287833
0.7979 Intermediate Similarity NPC205899
0.7978 Intermediate Similarity NPC469546
0.7978 Intermediate Similarity NPC54689
0.7978 Intermediate Similarity NPC305039
0.7976 Intermediate Similarity NPC26139
0.7957 Intermediate Similarity NPC43747
0.7957 Intermediate Similarity NPC226986
0.7955 Intermediate Similarity NPC136948
0.7935 Intermediate Similarity NPC297199
0.7935 Intermediate Similarity NPC473648
0.7935 Intermediate Similarity NPC317586
0.7935 Intermediate Similarity NPC470016
0.7931 Intermediate Similarity NPC323765
0.7931 Intermediate Similarity NPC29447
0.7931 Intermediate Similarity NPC8571
0.7907 Intermediate Similarity NPC83569
0.7907 Intermediate Similarity NPC69279
0.7889 Intermediate Similarity NPC477149
0.7889 Intermediate Similarity NPC477147
0.7882 Intermediate Similarity NPC147066
0.7872 Intermediate Similarity NPC10364
0.7865 Intermediate Similarity NPC28227
0.7857 Intermediate Similarity NPC473037
0.7857 Intermediate Similarity NPC477371
0.7857 Intermediate Similarity NPC90965
0.7849 Intermediate Similarity NPC7124
0.7849 Intermediate Similarity NPC328371
0.7831 Intermediate Similarity NPC475932
0.7826 Intermediate Similarity NPC318332
0.7826 Intermediate Similarity NPC166906
0.7826 Intermediate Similarity NPC294266
0.7816 Intermediate Similarity NPC120158
0.7816 Intermediate Similarity NPC473246
0.7816 Intermediate Similarity NPC475193
0.7812 Intermediate Similarity NPC293753
0.7812 Intermediate Similarity NPC56498
0.7802 Intermediate Similarity NPC218301
0.7802 Intermediate Similarity NPC204341
0.7802 Intermediate Similarity NPC154101
0.7778 Intermediate Similarity NPC474570
0.7778 Intermediate Similarity NPC214387
0.7778 Intermediate Similarity NPC474889
0.7778 Intermediate Similarity NPC262043
0.7766 Intermediate Similarity NPC18319
0.7755 Intermediate Similarity NPC472935
0.7755 Intermediate Similarity NPC51452
0.7753 Intermediate Similarity NPC167877
0.7753 Intermediate Similarity NPC96496
0.7742 Intermediate Similarity NPC174948
0.7742 Intermediate Similarity NPC318282
0.7742 Intermediate Similarity NPC173875
0.7742 Intermediate Similarity NPC469995
0.7742 Intermediate Similarity NPC171395
0.7738 Intermediate Similarity NPC63020
0.7732 Intermediate Similarity NPC236390
0.7732 Intermediate Similarity NPC251017
0.7727 Intermediate Similarity NPC2709
0.7727 Intermediate Similarity NPC142649
0.7717 Intermediate Similarity NPC152897
0.7717 Intermediate Similarity NPC66429
0.7717 Intermediate Similarity NPC170220
0.7717 Intermediate Similarity NPC243866
0.7717 Intermediate Similarity NPC107674
0.7717 Intermediate Similarity NPC141497
0.7711 Intermediate Similarity NPC899
0.7711 Intermediate Similarity NPC180886
0.7708 Intermediate Similarity NPC473514
0.7701 Intermediate Similarity NPC477373
0.7692 Intermediate Similarity NPC175628
0.7692 Intermediate Similarity NPC111585
0.7692 Intermediate Similarity NPC148414
0.7692 Intermediate Similarity NPC289213
0.7674 Intermediate Similarity NPC474955
0.7674 Intermediate Similarity NPC278459
0.7667 Intermediate Similarity NPC80335
0.7667 Intermediate Similarity NPC242864
0.7667 Intermediate Similarity NPC294480
0.7667 Intermediate Similarity NPC183546
0.766 Intermediate Similarity NPC328162
0.766 Intermediate Similarity NPC111684
0.766 Intermediate Similarity NPC58052
0.766 Intermediate Similarity NPC96859
0.766 Intermediate Similarity NPC305483
0.7653 Intermediate Similarity NPC28656
0.7653 Intermediate Similarity NPC119493
0.7647 Intermediate Similarity NPC472490
0.7647 Intermediate Similarity NPC118987
0.7647 Intermediate Similarity NPC28319
0.7647 Intermediate Similarity NPC471475
0.7647 Intermediate Similarity NPC192329
0.764 Intermediate Similarity NPC118648
0.764 Intermediate Similarity NPC222613
0.764 Intermediate Similarity NPC212843
0.764 Intermediate Similarity NPC264127
0.764 Intermediate Similarity NPC55309
0.764 Intermediate Similarity NPC229717
0.764 Intermediate Similarity NPC475022
0.764 Intermediate Similarity NPC72133
0.764 Intermediate Similarity NPC28252
0.7634 Intermediate Similarity NPC159410
0.7629 Intermediate Similarity NPC195290
0.7629 Intermediate Similarity NPC204450
0.7614 Intermediate Similarity NPC164577
0.7614 Intermediate Similarity NPC469407
0.7614 Intermediate Similarity NPC85774
0.7614 Intermediate Similarity NPC214043
0.7609 Intermediate Similarity NPC23434
0.7609 Intermediate Similarity NPC86266
0.7609 Intermediate Similarity NPC212301
0.7609 Intermediate Similarity NPC110657
0.7609 Intermediate Similarity NPC26888
0.7609 Intermediate Similarity NPC230064
0.7604 Intermediate Similarity NPC316964
0.76 Intermediate Similarity NPC295244
0.7586 Intermediate Similarity NPC469325
0.7586 Intermediate Similarity NPC296367
0.7586 Intermediate Similarity NPC3511
0.7586 Intermediate Similarity NPC142253
0.7582 Intermediate Similarity NPC215029
0.7582 Intermediate Similarity NPC477973
0.7582 Intermediate Similarity NPC476733
0.7582 Intermediate Similarity NPC477943
0.7579 Intermediate Similarity NPC320306
0.7579 Intermediate Similarity NPC292133
0.7561 Intermediate Similarity NPC470044
0.7561 Intermediate Similarity NPC474228

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469561 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
0.8276 Intermediate Similarity NPD5737 Approved
0.8276 Intermediate Similarity NPD6672 Approved
0.8046 Intermediate Similarity NPD5330 Approved
0.8046 Intermediate Similarity NPD7334 Approved
0.8046 Intermediate Similarity NPD7146 Approved
0.8046 Intermediate Similarity NPD7521 Approved
0.8046 Intermediate Similarity NPD6684 Approved
0.8046 Intermediate Similarity NPD6409 Approved
0.8 Intermediate Similarity NPD6050 Approved
0.7978 Intermediate Similarity NPD6673 Approved
0.7978 Intermediate Similarity NPD6904 Approved
0.7978 Intermediate Similarity NPD6080 Approved
0.7935 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7912 Intermediate Similarity NPD6399 Phase 3
0.7889 Intermediate Similarity NPD5207 Approved
0.7889 Intermediate Similarity NPD5692 Phase 3
0.7872 Intermediate Similarity NPD5696 Approved
0.7865 Intermediate Similarity NPD6903 Approved
0.7865 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7802 Intermediate Similarity NPD5281 Approved
0.7802 Intermediate Similarity NPD5694 Approved
0.7802 Intermediate Similarity NPD5284 Approved
0.7742 Intermediate Similarity NPD5695 Phase 3
0.7683 Intermediate Similarity NPD5733 Approved
0.7667 Intermediate Similarity NPD5208 Approved
0.764 Intermediate Similarity NPD6098 Approved
0.7609 Intermediate Similarity NPD5693 Phase 1
0.7579 Intermediate Similarity NPD6084 Phase 2
0.7579 Intermediate Similarity NPD6083 Phase 2
0.7553 Intermediate Similarity NPD5654 Approved
0.7531 Intermediate Similarity NPD4747 Approved
0.7529 Intermediate Similarity NPD3617 Approved
0.7474 Intermediate Similarity NPD7732 Phase 3
0.747 Intermediate Similarity NPD4687 Approved
0.7447 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD7900 Approved
0.7447 Intermediate Similarity NPD6001 Approved
0.7439 Intermediate Similarity NPD5276 Approved
0.7407 Intermediate Similarity NPD4137 Phase 3
0.7396 Intermediate Similarity NPD5959 Approved
0.7386 Intermediate Similarity NPD4223 Phase 3
0.7386 Intermediate Similarity NPD4221 Approved
0.7368 Intermediate Similarity NPD4629 Approved
0.7368 Intermediate Similarity NPD5210 Approved
0.7333 Intermediate Similarity NPD5329 Approved
0.7327 Intermediate Similarity NPD6614 Approved
0.7317 Intermediate Similarity NPD4691 Approved
0.7273 Intermediate Similarity NPD4139 Approved
0.7273 Intermediate Similarity NPD4692 Approved
0.7253 Intermediate Similarity NPD4694 Approved
0.7253 Intermediate Similarity NPD5690 Phase 2
0.7253 Intermediate Similarity NPD5280 Approved
0.7253 Intermediate Similarity NPD3618 Phase 1
0.7253 Intermediate Similarity NPD5279 Phase 3
0.7253 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD6081 Approved
0.7222 Intermediate Similarity NPD4786 Approved
0.7222 Intermediate Similarity NPD3665 Phase 1
0.7222 Intermediate Similarity NPD3666 Approved
0.7222 Intermediate Similarity NPD4197 Approved
0.7222 Intermediate Similarity NPD3133 Approved
0.7216 Intermediate Similarity NPD7902 Approved
0.7204 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD4753 Phase 2
0.7204 Intermediate Similarity NPD5328 Approved
0.72 Intermediate Similarity NPD6052 Approved
0.7184 Intermediate Similarity NPD6372 Approved
0.7184 Intermediate Similarity NPD6373 Approved
0.7113 Intermediate Similarity NPD7614 Phase 1
0.7113 Intermediate Similarity NPD4697 Phase 3
0.7083 Intermediate Similarity NPD7748 Approved
0.7065 Intermediate Similarity NPD5205 Approved
0.7065 Intermediate Similarity NPD4688 Approved
0.7065 Intermediate Similarity NPD4693 Phase 3
0.7065 Intermediate Similarity NPD4690 Approved
0.7065 Intermediate Similarity NPD4138 Approved
0.7065 Intermediate Similarity NPD4689 Approved
0.7059 Intermediate Similarity NPD6675 Approved
0.7059 Intermediate Similarity NPD6008 Approved
0.7059 Intermediate Similarity NPD4058 Approved
0.7059 Intermediate Similarity NPD7128 Approved
0.7059 Intermediate Similarity NPD5739 Approved
0.7059 Intermediate Similarity NPD6402 Approved
0.7053 Intermediate Similarity NPD8035 Phase 2
0.7053 Intermediate Similarity NPD8034 Phase 2
0.7053 Intermediate Similarity NPD7515 Phase 2
0.7053 Intermediate Similarity NPD6079 Approved
0.7048 Intermediate Similarity NPD6649 Approved
0.7048 Intermediate Similarity NPD6650 Approved
0.7033 Intermediate Similarity NPD3668 Phase 3
0.7 Intermediate Similarity NPD3667 Approved
0.7 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.6989 Remote Similarity NPD3573 Approved
0.6957 Remote Similarity NPD1694 Approved
0.6923 Remote Similarity NPD6899 Approved
0.6923 Remote Similarity NPD6881 Approved
0.6923 Remote Similarity NPD7320 Approved
0.6867 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6827 Remote Similarity NPD5701 Approved
0.6827 Remote Similarity NPD5697 Approved
0.6824 Remote Similarity NPD5777 Approved
0.6804 Remote Similarity NPD5133 Approved
0.6804 Remote Similarity NPD4202 Approved
0.6792 Remote Similarity NPD7102 Approved
0.6792 Remote Similarity NPD6883 Approved
0.6792 Remote Similarity NPD7290 Approved
0.6778 Remote Similarity NPD4695 Discontinued
0.6774 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6771 Remote Similarity NPD4096 Approved
0.6768 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5221 Approved
0.6768 Remote Similarity NPD5222 Approved
0.6765 Remote Similarity NPD5091 Approved
0.6762 Remote Similarity NPD6011 Approved
0.6739 Remote Similarity NPD4788 Approved
0.6733 Remote Similarity NPD6404 Discontinued
0.6729 Remote Similarity NPD6869 Approved
0.6729 Remote Similarity NPD6847 Approved
0.6729 Remote Similarity NPD6617 Approved
0.6729 Remote Similarity NPD8130 Phase 1
0.6729 Remote Similarity NPD6401 Clinical (unspecified phase)
0.67 Remote Similarity NPD4755 Approved
0.67 Remote Similarity NPD5173 Approved
0.6698 Remote Similarity NPD6013 Approved
0.6698 Remote Similarity NPD6014 Approved
0.6698 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD4195 Approved
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD6051 Approved
0.6634 Remote Similarity NPD7638 Approved
0.6627 Remote Similarity NPD4224 Phase 2
0.6577 Remote Similarity NPD7115 Discovery
0.6569 Remote Similarity NPD5286 Approved
0.6569 Remote Similarity NPD5285 Approved
0.6569 Remote Similarity NPD4700 Approved
0.6569 Remote Similarity NPD7640 Approved
0.6569 Remote Similarity NPD7639 Approved
0.6569 Remote Similarity NPD4696 Approved
0.6562 Remote Similarity NPD4518 Approved
0.6559 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6556 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6526 Remote Similarity NPD4519 Discontinued
0.6526 Remote Similarity NPD4623 Approved
0.6517 Remote Similarity NPD6117 Approved
0.6509 Remote Similarity NPD6412 Phase 2
0.6509 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6505 Remote Similarity NPD5223 Approved
0.6486 Remote Similarity NPD6868 Approved
0.6477 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6455 Remote Similarity NPD4632 Approved
0.6444 Remote Similarity NPD6116 Phase 1
0.6442 Remote Similarity NPD5224 Approved
0.6442 Remote Similarity NPD7632 Discontinued
0.6442 Remote Similarity NPD5211 Phase 2
0.6442 Remote Similarity NPD5226 Approved
0.6442 Remote Similarity NPD5225 Approved
0.6442 Remote Similarity NPD4633 Approved
0.6429 Remote Similarity NPD5785 Approved
0.6404 Remote Similarity NPD3702 Approved
0.6389 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6381 Remote Similarity NPD5174 Approved
0.6381 Remote Similarity NPD4754 Approved
0.6381 Remote Similarity NPD5175 Approved
0.6374 Remote Similarity NPD6118 Approved
0.6374 Remote Similarity NPD6697 Approved
0.6374 Remote Similarity NPD6114 Approved
0.6374 Remote Similarity NPD6115 Approved
0.6372 Remote Similarity NPD6335 Approved
0.6364 Remote Similarity NPD6411 Approved
0.6344 Remote Similarity NPD5369 Approved
0.6344 Remote Similarity NPD8028 Phase 2
0.6339 Remote Similarity NPD6274 Approved
0.633 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6322 Remote Similarity NPD4789 Approved
0.6321 Remote Similarity NPD5141 Approved
0.6316 Remote Similarity NPD7101 Approved
0.6316 Remote Similarity NPD7100 Approved
0.631 Remote Similarity NPD7341 Phase 2
0.631 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6306 Remote Similarity NPD6858 Approved
0.6306 Remote Similarity NPD7094 Approved
0.6283 Remote Similarity NPD6317 Approved
0.6283 Remote Similarity NPD6009 Approved
0.6279 Remote Similarity NPD5360 Phase 3
0.6279 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6262 Remote Similarity NPD4768 Approved
0.6262 Remote Similarity NPD4767 Approved
0.625 Remote Similarity NPD4809 Clinical (unspecified phase)
0.625 Remote Similarity NPD4808 Clinical (unspecified phase)
0.625 Remote Similarity NPD4243 Approved
0.625 Remote Similarity NPD5363 Approved
0.6228 Remote Similarity NPD6313 Approved
0.6228 Remote Similarity NPD6314 Approved
0.6222 Remote Similarity NPD7339 Approved
0.6222 Remote Similarity NPD8039 Approved
0.6222 Remote Similarity NPD6942 Approved
0.6211 Remote Similarity NPD5362 Discontinued
0.6207 Remote Similarity NPD6908 Approved
0.6207 Remote Similarity NPD6291 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   21632959
ChEMBL   CHEMBL1087516
ZINC  

Physicochemical Properties

Molecular Weight:  526.29
ALogP:  1.0338
MLogP:  4.1
XLogP:  1.643
# Rotatable Bonds:  15
Polar Surface Area:  111.65
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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