Natural Product: NPC99411

Natural Product ID:  NPC99411
Common Name:   Ganoderic Acid T-Q
IUPAC Name:   (Z,6R)-6-[(5R,10S,13R,14R,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Synonyms:   Ganoderic Acid T-Q
Molecular Formula:   C32H46O5
Standard InCHIKey:  JVABUELIHJXLKP-RRIGXFHTSA-N
Standard InCHI:  InChI=1S/C32H46O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-25,27H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11-/t19-,24-,25+,27?,30-,31-,32-/m1/s1
Canonical SMILES:  CC(=O)OC1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CCC(=O)C3(C)C)C)[C@@H](CC/C=C(C(=O)O)/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 PMID[14695801]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 281 molar ratio 21663319
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 10.6019/CHEMBL1201861
NPT2 Others Unspecified Activity = 0 % 26922225
NPT165 Cell Line HeLa Homo sapiens IC50 > 300000 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Activity = 74.6 % 20553004
NPT2 Others Unspecified Activity = 26.4 % 22206869
NPT2 Others Unspecified Activity = 95.3 % Open TG-GATES in vivo data: Biochemistry

  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 NPC99411 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
0.9574 High Similarity NPC235464
0.9574 High Similarity NPC166745
0.9167 High Similarity NPC197386
0.8866 High Similarity NPC141401
0.8842 High Similarity NPC472942
0.883 High Similarity NPC69622
0.88 High Similarity NPC236390
0.88 High Similarity NPC85742
0.8788 High Similarity NPC146822
0.8776 High Similarity NPC471717
0.8763 High Similarity NPC472941
0.8763 High Similarity NPC456
0.8763 High Similarity NPC155676
0.8763 High Similarity NPC328371
0.8737 High Similarity NPC204341
0.8737 High Similarity NPC473986
0.8737 High Similarity NPC474018
0.87 High Similarity NPC56498
0.87 High Similarity NPC195290
0.87 High Similarity NPC204450
0.8687 High Similarity NPC266955
0.8687 High Similarity NPC241221
0.8673 High Similarity NPC18319
0.8673 High Similarity NPC475894
0.866 High Similarity NPC472932
0.866 High Similarity NPC173875
0.866 High Similarity NPC174948
0.866 High Similarity NPC171395
0.866 High Similarity NPC469995
0.866 High Similarity NPC318282
0.8646 High Similarity NPC250575
0.8646 High Similarity NPC152897
0.8646 High Similarity NPC66429
0.8641 High Similarity NPC220155
0.8632 High Similarity NPC477147
0.8632 High Similarity NPC477149
0.86 High Similarity NPC115899
0.8586 High Similarity NPC48647
0.8586 High Similarity NPC477813
0.8571 High Similarity NPC42042
0.8557 High Similarity NPC7165
0.8557 High Similarity NPC469406
0.8557 High Similarity NPC184870
0.8544 High Similarity NPC91034
0.8542 High Similarity NPC470113
0.8542 High Similarity NPC26888
0.8529 High Similarity NPC472868
0.8526 High Similarity NPC214387
0.8515 High Similarity NPC475320
0.85 High Similarity NPC287833
0.85 High Similarity NPC205899
0.85 High Similarity NPC476274
0.8491 Intermediate Similarity NPC221144
0.8491 Intermediate Similarity NPC191620
0.8485 Intermediate Similarity NPC202705
0.8485 Intermediate Similarity NPC469432
0.8485 Intermediate Similarity NPC320306
0.8485 Intermediate Similarity NPC107243
0.8469 Intermediate Similarity NPC469599
0.8469 Intermediate Similarity NPC263347
0.8469 Intermediate Similarity NPC476174
0.8454 Intermediate Similarity NPC243866
0.8454 Intermediate Similarity NPC38232
0.8454 Intermediate Similarity NPC214697
0.8447 Intermediate Similarity NPC181265
0.8438 Intermediate Similarity NPC123854
0.8438 Intermediate Similarity NPC111585
0.8438 Intermediate Similarity NPC148414
0.8438 Intermediate Similarity NPC175628
0.8431 Intermediate Similarity NPC72151
0.8416 Intermediate Similarity NPC224720
0.8416 Intermediate Similarity NPC472924
0.8416 Intermediate Similarity NPC476240
0.8416 Intermediate Similarity NPC476223
0.8404 Intermediate Similarity NPC195640
0.84 Intermediate Similarity NPC478056
0.84 Intermediate Similarity NPC10364
0.84 Intermediate Similarity NPC186810
0.84 Intermediate Similarity NPC98868
0.8396 Intermediate Similarity NPC474315
0.8387 Intermediate Similarity NPC87552
0.8387 Intermediate Similarity NPC164577
0.8384 Intermediate Similarity NPC7124
0.8384 Intermediate Similarity NPC250757
0.8384 Intermediate Similarity NPC301534
0.8365 Intermediate Similarity NPC475294
0.8351 Intermediate Similarity NPC154101
0.8351 Intermediate Similarity NPC212948
0.8351 Intermediate Similarity NPC45269
0.835 Intermediate Similarity NPC235889
0.8333 Intermediate Similarity NPC54689
0.8333 Intermediate Similarity NPC293753
0.8333 Intermediate Similarity NPC114540
0.8333 Intermediate Similarity NPC473424
0.8333 Intermediate Similarity NPC119601
0.8333 Intermediate Similarity NPC474570
0.8333 Intermediate Similarity NPC308726
0.8333 Intermediate Similarity NPC262043
0.8333 Intermediate Similarity NPC320447
0.8333 Intermediate Similarity NPC155332
0.8333 Intermediate Similarity NPC136289
0.8333 Intermediate Similarity NPC32577
0.8333 Intermediate Similarity NPC474889
0.8318 Intermediate Similarity NPC475524
0.8318 Intermediate Similarity NPC100267
0.8317 Intermediate Similarity NPC327431
0.8317 Intermediate Similarity NPC51370
0.8316 Intermediate Similarity NPC136948
0.8302 Intermediate Similarity NPC473627
0.8302 Intermediate Similarity NPC197428
0.8302 Intermediate Similarity NPC16270
0.8302 Intermediate Similarity NPC37116
0.83 Intermediate Similarity NPC476253
0.83 Intermediate Similarity NPC253826
0.83 Intermediate Similarity NPC57416
0.83 Intermediate Similarity NPC121339
0.8298 Intermediate Similarity NPC323765
0.8298 Intermediate Similarity NPC474083
0.8283 Intermediate Similarity NPC20546
0.8283 Intermediate Similarity NPC293052
0.8283 Intermediate Similarity NPC470016
0.8283 Intermediate Similarity NPC69548
0.8283 Intermediate Similarity NPC162001
0.8283 Intermediate Similarity NPC45324
0.8283 Intermediate Similarity NPC222845
0.8283 Intermediate Similarity NPC184848
0.8283 Intermediate Similarity NPC317586
0.828 Intermediate Similarity NPC168188
0.828 Intermediate Similarity NPC83569
0.828 Intermediate Similarity NPC69279
0.828 Intermediate Similarity NPC97913
0.828 Intermediate Similarity NPC470015
0.8269 Intermediate Similarity NPC472935
0.8265 Intermediate Similarity NPC25750
0.8265 Intermediate Similarity NPC474736
0.8265 Intermediate Similarity NPC472930
0.8265 Intermediate Similarity NPC206810
0.8257 Intermediate Similarity NPC148458
0.8252 Intermediate Similarity NPC111323
0.8247 Intermediate Similarity NPC48010
0.8247 Intermediate Similarity NPC46281
0.8247 Intermediate Similarity NPC471896
0.8241 Intermediate Similarity NPC472926
0.8241 Intermediate Similarity NPC472929
0.8235 Intermediate Similarity NPC473514
0.8235 Intermediate Similarity NPC163372
0.8235 Intermediate Similarity NPC302537
0.8235 Intermediate Similarity NPC81530
0.8235 Intermediate Similarity NPC118174
0.8229 Intermediate Similarity NPC247406
0.8229 Intermediate Similarity NPC472220
0.8229 Intermediate Similarity NPC48866
0.8229 Intermediate Similarity NPC24816
0.8229 Intermediate Similarity NPC183546
0.8229 Intermediate Similarity NPC72397
0.8229 Intermediate Similarity NPC472870
0.8229 Intermediate Similarity NPC294480
0.8229 Intermediate Similarity NPC97884
0.8224 Intermediate Similarity NPC470961
0.8218 Intermediate Similarity NPC108368
0.8218 Intermediate Similarity NPC57079
0.8211 Intermediate Similarity NPC469994
0.8208 Intermediate Similarity NPC304495
0.8208 Intermediate Similarity NPC258543
0.8208 Intermediate Similarity NPC241927
0.82 Intermediate Similarity NPC3772
0.82 Intermediate Similarity NPC125622
0.82 Intermediate Similarity NPC190713
0.82 Intermediate Similarity NPC29152
0.82 Intermediate Similarity NPC322063
0.8191 Intermediate Similarity NPC165064
0.8191 Intermediate Similarity NPC473246
0.8191 Intermediate Similarity NPC472865
0.819 Intermediate Similarity NPC472925
0.819 Intermediate Similarity NPC473284
0.8182 Intermediate Similarity NPC471854
0.8182 Intermediate Similarity NPC53685
0.8182 Intermediate Similarity NPC166906
0.8173 Intermediate Similarity NPC272632
0.8173 Intermediate Similarity NPC28656
0.8172 Intermediate Similarity NPC327969
0.8172 Intermediate Similarity NPC142253
0.8172 Intermediate Similarity NPC296367
0.8172 Intermediate Similarity NPC321289
0.8172 Intermediate Similarity NPC3511
0.8172 Intermediate Similarity NPC260956
0.8163 Intermediate Similarity NPC150383
0.8163 Intermediate Similarity NPC473998
0.8155 Intermediate Similarity NPC281702
0.8155 Intermediate Similarity NPC22388
0.8155 Intermediate Similarity NPC87351
0.8155 Intermediate Similarity NPC308351
0.8155 Intermediate Similarity NPC234892
0.8155 Intermediate Similarity NPC271266
0.8148 Intermediate Similarity NPC236217
0.8144 Intermediate Similarity NPC155479
0.8144 Intermediate Similarity NPC477943
0.8144 Intermediate Similarity NPC77168
0.8144 Intermediate Similarity NPC310236
0.8144 Intermediate Similarity NPC473999

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC99411 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
0.8469 Intermediate Similarity NPD5695 Phase 3
0.8404 Intermediate Similarity NPD6684 Approved
0.8404 Intermediate Similarity NPD6409 Approved
0.8404 Intermediate Similarity NPD7521 Approved
0.8404 Intermediate Similarity NPD5330 Approved
0.8404 Intermediate Similarity NPD7146 Approved
0.8404 Intermediate Similarity NPD7334 Approved
0.8351 Intermediate Similarity NPD5281 Approved
0.8351 Intermediate Similarity NPD5284 Approved
0.8351 Intermediate Similarity NPD6050 Approved
0.83 Intermediate Similarity NPD6084 Phase 2
0.83 Intermediate Similarity NPD6083 Phase 2
0.8265 Intermediate Similarity NPD6399 Phase 3
0.8247 Intermediate Similarity NPD5692 Phase 3
0.8229 Intermediate Similarity NPD6903 Approved
0.8229 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8163 Intermediate Similarity NPD5694 Approved
0.8061 Intermediate Similarity NPD5207 Approved
0.8041 Intermediate Similarity NPD6672 Approved
0.8041 Intermediate Similarity NPD5737 Approved
0.8039 Intermediate Similarity NPD5696 Approved
0.8021 Intermediate Similarity NPD4694 Approved
0.8021 Intermediate Similarity NPD5280 Approved
0.8021 Intermediate Similarity NPD5279 Phase 3
0.8 Intermediate Similarity NPD3665 Phase 1
0.8 Intermediate Similarity NPD3666 Approved
0.8 Intermediate Similarity NPD3133 Approved
0.7959 Intermediate Similarity NPD6904 Approved
0.7959 Intermediate Similarity NPD6673 Approved
0.7959 Intermediate Similarity NPD6080 Approved
0.7944 Intermediate Similarity NPD6881 Approved
0.7944 Intermediate Similarity NPD6899 Approved
0.7925 Intermediate Similarity NPD5739 Approved
0.7925 Intermediate Similarity NPD7128 Approved
0.7925 Intermediate Similarity NPD6675 Approved
0.7925 Intermediate Similarity NPD6402 Approved
0.789 Intermediate Similarity NPD8130 Phase 1
0.785 Intermediate Similarity NPD5697 Approved
0.7835 Intermediate Similarity NPD5690 Phase 2
0.7822 Intermediate Similarity NPD7748 Approved
0.7818 Intermediate Similarity NPD8297 Approved
0.7812 Intermediate Similarity NPD4786 Approved
0.78 Intermediate Similarity NPD5693 Phase 1
0.7798 Intermediate Similarity NPD7290 Approved
0.7798 Intermediate Similarity NPD6883 Approved
0.7798 Intermediate Similarity NPD7102 Approved
0.7789 Intermediate Similarity NPD4221 Approved
0.7789 Intermediate Similarity NPD4223 Phase 3
0.7788 Intermediate Similarity NPD7640 Approved
0.7788 Intermediate Similarity NPD7639 Approved
0.7788 Intermediate Similarity NPD6404 Discontinued
0.7778 Intermediate Similarity NPD4753 Phase 2
0.7778 Intermediate Similarity NPD7320 Approved
0.7778 Intermediate Similarity NPD6011 Approved
0.7745 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7745 Intermediate Similarity NPD5654 Approved
0.7732 Intermediate Similarity NPD5329 Approved
0.7727 Intermediate Similarity NPD6649 Approved
0.7727 Intermediate Similarity NPD6869 Approved
0.7727 Intermediate Similarity NPD6847 Approved
0.7727 Intermediate Similarity NPD6617 Approved
0.7727 Intermediate Similarity NPD6650 Approved
0.7706 Intermediate Similarity NPD6373 Approved
0.7706 Intermediate Similarity NPD6372 Approved
0.7706 Intermediate Similarity NPD6013 Approved
0.7706 Intermediate Similarity NPD6012 Approved
0.7706 Intermediate Similarity NPD6014 Approved
0.77 Intermediate Similarity NPD5785 Approved
0.7699 Intermediate Similarity NPD7115 Discovery
0.7692 Intermediate Similarity NPD7638 Approved
0.7685 Intermediate Similarity NPD5701 Approved
0.7677 Intermediate Similarity NPD5208 Approved
0.7658 Intermediate Similarity NPD6882 Approved
0.7653 Intermediate Similarity NPD6098 Approved
0.7642 Intermediate Similarity NPD5211 Phase 2
0.7629 Intermediate Similarity NPD4197 Approved
0.7624 Intermediate Similarity NPD6079 Approved
0.7604 Intermediate Similarity NPD3667 Approved
0.76 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5328 Approved
0.7596 Intermediate Similarity NPD7902 Approved
0.7596 Intermediate Similarity NPD5959 Approved
0.7573 Intermediate Similarity NPD5210 Approved
0.7573 Intermediate Similarity NPD4629 Approved
0.7568 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD5363 Approved
0.7549 Intermediate Similarity NPD4202 Approved
0.7526 Intermediate Similarity NPD5362 Discontinued
0.7525 Intermediate Similarity NPD4096 Approved
0.75 Intermediate Similarity NPD4518 Approved
0.75 Intermediate Similarity NPD5141 Approved
0.7475 Intermediate Similarity NPD4688 Approved
0.7475 Intermediate Similarity NPD4138 Approved
0.7475 Intermediate Similarity NPD4693 Phase 3
0.7475 Intermediate Similarity NPD5205 Approved
0.7475 Intermediate Similarity NPD4690 Approved
0.7475 Intermediate Similarity NPD3618 Phase 1
0.7475 Intermediate Similarity NPD4689 Approved
0.7453 Intermediate Similarity NPD5285 Approved
0.7453 Intermediate Similarity NPD5286 Approved
0.7453 Intermediate Similarity NPD4696 Approved
0.7451 Intermediate Similarity NPD7637 Suspended
0.7451 Intermediate Similarity NPD7515 Phase 2
0.7451 Intermediate Similarity NPD6411 Approved
0.7431 Intermediate Similarity NPD6008 Approved
0.7429 Intermediate Similarity NPD4755 Approved
0.7426 Intermediate Similarity NPD6051 Approved
0.7423 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD5223 Approved
0.7379 Intermediate Similarity NPD5779 Approved
0.7379 Intermediate Similarity NPD5133 Approved
0.7379 Intermediate Similarity NPD5778 Approved
0.7368 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD6412 Phase 2
0.7347 Intermediate Similarity NPD4788 Approved
0.7345 Intermediate Similarity NPD6053 Discontinued
0.7333 Intermediate Similarity NPD5221 Approved
0.7333 Intermediate Similarity NPD5222 Approved
0.7333 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD6335 Approved
0.7315 Intermediate Similarity NPD5226 Approved
0.7315 Intermediate Similarity NPD5225 Approved
0.7315 Intermediate Similarity NPD4633 Approved
0.7315 Intermediate Similarity NPD5224 Approved
0.7312 Intermediate Similarity NPD5733 Approved
0.7308 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD6001 Approved
0.7308 Intermediate Similarity NPD7900 Approved
0.7304 Intermediate Similarity NPD6274 Approved
0.73 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD4195 Approved
0.729 Intermediate Similarity NPD4700 Approved
0.7282 Intermediate Similarity NPD8035 Phase 2
0.7282 Intermediate Similarity NPD8034 Phase 2
0.7281 Intermediate Similarity NPD4632 Approved
0.7273 Intermediate Similarity NPD3668 Phase 3
0.7265 Intermediate Similarity NPD7101 Approved
0.7265 Intermediate Similarity NPD7100 Approved
0.7264 Intermediate Similarity NPD5173 Approved
0.7255 Intermediate Similarity NPD6101 Approved
0.7255 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5175 Approved
0.7248 Intermediate Similarity NPD5174 Approved
0.7245 Intermediate Similarity NPD4269 Approved
0.7245 Intermediate Similarity NPD4270 Approved
0.7241 Intermediate Similarity NPD6317 Approved
0.7216 Intermediate Similarity NPD4695 Discontinued
0.72 Intermediate Similarity NPD1694 Approved
0.7179 Intermediate Similarity NPD6314 Approved
0.7179 Intermediate Similarity NPD6313 Approved
0.717 Intermediate Similarity NPD4697 Phase 3
0.7156 Intermediate Similarity NPD7632 Discontinued
0.7155 Intermediate Similarity NPD6868 Approved
0.7143 Intermediate Similarity NPD4692 Approved
0.7143 Intermediate Similarity NPD4139 Approved
0.7129 Intermediate Similarity NPD4623 Approved
0.7129 Intermediate Similarity NPD5786 Approved
0.7129 Intermediate Similarity NPD4519 Discontinued
0.7128 Intermediate Similarity NPD4687 Approved
0.7097 Intermediate Similarity NPD5276 Approved
0.7094 Intermediate Similarity NPD6009 Approved
0.7091 Intermediate Similarity NPD4754 Approved
0.7091 Intermediate Similarity NPD6052 Approved
0.7059 Intermediate Similarity NPD6319 Approved
0.7054 Intermediate Similarity NPD6614 Approved
0.7041 Intermediate Similarity NPD4252 Approved
0.7041 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD4225 Approved
0.703 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7604 Phase 2
0.701 Intermediate Similarity NPD3617 Approved
0.7 Intermediate Similarity NPD5331 Approved
0.7 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6908 Approved
0.7 Intermediate Similarity NPD5332 Approved
0.7 Intermediate Similarity NPD5983 Phase 2
0.7 Intermediate Similarity NPD6909 Approved
0.7 Intermediate Similarity NPD6695 Phase 3
0.7 Intermediate Similarity NPD7154 Phase 3
0.6991 Remote Similarity NPD6686 Approved
0.6991 Remote Similarity NPD4730 Approved
0.6991 Remote Similarity NPD4729 Approved
0.6991 Remote Similarity NPD5128 Approved
0.6983 Remote Similarity NPD6858 Approved
0.6983 Remote Similarity NPD7094 Approved
0.6979 Remote Similarity NPD3701 Clinical (unspecified phase)
0.697 Remote Similarity NPD5369 Approved
0.697 Remote Similarity NPD4790 Discontinued
0.6967 Remote Similarity NPD7492 Approved
0.6964 Remote Similarity NPD4768 Approved
0.6964 Remote Similarity NPD4767 Approved
0.6947 Remote Similarity NPD4058 Approved
0.6935 Remote Similarity NPD7736 Approved
0.6931 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6917 Remote Similarity NPD6054 Approved
0.6911 Remote Similarity NPD6616 Approved
0.6911 Remote Similarity NPD6336 Discontinued
0.6905 Remote Similarity NPD7260 Phase 2
0.69 Remote Similarity NPD6435 Approved
0.6893 Remote Similarity NPD7750 Discontinued

Structure

External Identifiers

PubChem CID   44566902
ChEMBL   CHEMBL466999
ZINC  

Physicochemical Properties

Molecular Weight:  510.33
ALogP:  3.77
MLogP:  4.43
XLogP:  6.597
# Rotatable Bonds:  16
Polar Surface Area:  80.67
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  37

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs