Natural Product: NPC191684

Natural Product ID:  NPC191684
Common Name:   Ganoderic Aldehyde A
IUPAC Name:   (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal
Synonyms:  
Molecular Formula:   C30H46O3
Standard InCHIKey:  CFBBUWFXWSYJHB-HEYXRKOXSA-N
Standard InCHI:  InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,18,20-21,24-25,33H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,25+,28+,29+,30-/m1/s1
Canonical SMILES:  O=C/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2CC[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
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 2.54 ug/ml 1791484
NPT91 Cell Line KB Homo sapiens ED50 = 1.25 ug/ml 1791484

  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 NPC191684 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
0.9535 High Similarity NPC183283
0.9529 High Similarity NPC471722
0.9524 High Similarity NPC94755
0.9524 High Similarity NPC72133
0.9419 High Similarity NPC275740
0.9419 High Similarity NPC86319
0.9302 High Similarity NPC131470
0.9302 High Similarity NPC471724
0.9302 High Similarity NPC143767
0.9286 High Similarity NPC473246
0.9205 High Similarity NPC272746
0.9186 High Similarity NPC475772
0.9186 High Similarity NPC475740
0.9176 High Similarity NPC470574
0.9101 High Similarity NPC69454
0.9101 High Similarity NPC250575
0.9091 High Similarity NPC126993
0.9091 High Similarity NPC85173
0.908 High Similarity NPC328539
0.907 High Similarity NPC474778
0.907 High Similarity NPC118648
0.907 High Similarity NPC31564
0.907 High Similarity NPC145879
0.907 High Similarity NPC222613
0.907 High Similarity NPC475022
0.907 High Similarity NPC474733
0.907 High Similarity NPC474732
0.9059 High Similarity NPC85774
0.9059 High Similarity NPC214043
0.8989 High Similarity NPC233116
0.8989 High Similarity NPC63748
0.8977 High Similarity NPC473999
0.8977 High Similarity NPC1015
0.8977 High Similarity NPC119416
0.8977 High Similarity NPC31985
0.8977 High Similarity NPC309603
0.8966 High Similarity NPC58063
0.8966 High Similarity NPC159046
0.8966 High Similarity NPC233836
0.8966 High Similarity NPC187376
0.8901 High Similarity NPC259286
0.8889 High Similarity NPC475255
0.8889 High Similarity NPC134826
0.8876 High Similarity NPC48010
0.8864 High Similarity NPC206060
0.8851 High Similarity NPC55309
0.8851 High Similarity NPC28252
0.8837 High Similarity NPC59453
0.8837 High Similarity NPC472265
0.8837 High Similarity NPC221758
0.8804 High Similarity NPC192428
0.8804 High Similarity NPC249954
0.8791 High Similarity NPC245972
0.8791 High Similarity NPC111015
0.8791 High Similarity NPC196485
0.8791 High Similarity NPC166906
0.8778 High Similarity NPC168027
0.8778 High Similarity NPC473998
0.8778 High Similarity NPC475806
0.8778 High Similarity NPC185936
0.8764 High Similarity NPC84271
0.8764 High Similarity NPC102414
0.8764 High Similarity NPC77168
0.8764 High Similarity NPC186688
0.8764 High Similarity NPC26959
0.8764 High Similarity NPC268406
0.8764 High Similarity NPC472983
0.875 High Similarity NPC89747
0.875 High Similarity NPC136548
0.875 High Similarity NPC93778
0.875 High Similarity NPC141292
0.875 High Similarity NPC142361
0.875 High Similarity NPC474684
0.8736 High Similarity NPC474083
0.8736 High Similarity NPC469948
0.871 High Similarity NPC108078
0.8696 High Similarity NPC470016
0.8696 High Similarity NPC271195
0.8696 High Similarity NPC317586
0.869 High Similarity NPC472490
0.8681 High Similarity NPC472930
0.8681 High Similarity NPC12722
0.8652 High Similarity NPC474925
0.8652 High Similarity NPC292491
0.8652 High Similarity NPC310752
0.8652 High Similarity NPC193360
0.8652 High Similarity NPC472739
0.8652 High Similarity NPC242864
0.8652 High Similarity NPC474677
0.8636 High Similarity NPC51014
0.8636 High Similarity NPC98236
0.8636 High Similarity NPC269396
0.8621 High Similarity NPC33913
0.8621 High Similarity NPC329043
0.8621 High Similarity NPC237712
0.8621 High Similarity NPC58841
0.8621 High Similarity NPC321187
0.8621 High Similarity NPC161423
0.8621 High Similarity NPC227064
0.8621 High Similarity NPC82902
0.8617 High Similarity NPC103051
0.8605 High Similarity NPC151519
0.8602 High Similarity NPC117133
0.8602 High Similarity NPC96859
0.8602 High Similarity NPC328162
0.8602 High Similarity NPC305483
0.8602 High Similarity NPC472941
0.8602 High Similarity NPC456
0.8588 High Similarity NPC472478
0.8587 High Similarity NPC8993
0.8571 High Similarity NPC99380
0.8571 High Similarity NPC297265
0.8571 High Similarity NPC131872
0.8556 High Similarity NPC475921
0.8556 High Similarity NPC474245
0.8556 High Similarity NPC474704
0.8556 High Similarity NPC477943
0.8556 High Similarity NPC32830
0.8542 High Similarity NPC293753
0.8542 High Similarity NPC473424
0.8539 High Similarity NPC138756
0.8523 High Similarity NPC474218
0.8523 High Similarity NPC471224
0.8523 High Similarity NPC197823
0.8523 High Similarity NPC76518
0.8511 High Similarity NPC320306
0.8506 High Similarity NPC476082
0.8506 High Similarity NPC278648
0.8478 Intermediate Similarity NPC474736
0.8478 Intermediate Similarity NPC109305
0.8462 Intermediate Similarity NPC469400
0.8462 Intermediate Similarity NPC111585
0.8462 Intermediate Similarity NPC148414
0.8462 Intermediate Similarity NPC175628
0.8452 Intermediate Similarity NPC197659
0.8452 Intermediate Similarity NPC214570
0.8444 Intermediate Similarity NPC473229
0.8444 Intermediate Similarity NPC53911
0.8444 Intermediate Similarity NPC328313
0.8444 Intermediate Similarity NPC472802
0.8427 Intermediate Similarity NPC469994
0.8427 Intermediate Similarity NPC472974
0.8427 Intermediate Similarity NPC155011
0.8427 Intermediate Similarity NPC477579
0.8427 Intermediate Similarity NPC95594
0.8427 Intermediate Similarity NPC327115
0.8427 Intermediate Similarity NPC89077
0.8427 Intermediate Similarity NPC158393
0.8427 Intermediate Similarity NPC235341
0.8421 Intermediate Similarity NPC194196
0.8421 Intermediate Similarity NPC114274
0.8409 Intermediate Similarity NPC470812
0.8409 Intermediate Similarity NPC74595
0.8409 Intermediate Similarity NPC264665
0.8404 Intermediate Similarity NPC469545
0.8404 Intermediate Similarity NPC61369
0.8404 Intermediate Similarity NPC5532
0.8391 Intermediate Similarity NPC48362
0.8387 Intermediate Similarity NPC469406
0.8387 Intermediate Similarity NPC292793
0.8387 Intermediate Similarity NPC299100
0.8387 Intermediate Similarity NPC471207
0.8387 Intermediate Similarity NPC23170
0.8372 Intermediate Similarity NPC2482
0.837 Intermediate Similarity NPC212301
0.837 Intermediate Similarity NPC26888
0.837 Intermediate Similarity NPC189520
0.837 Intermediate Similarity NPC86266
0.837 Intermediate Similarity NPC23434
0.837 Intermediate Similarity NPC212948
0.837 Intermediate Similarity NPC155304
0.837 Intermediate Similarity NPC19114
0.837 Intermediate Similarity NPC110657
0.8353 Intermediate Similarity NPC275910
0.8353 Intermediate Similarity NPC253561
0.8353 Intermediate Similarity NPC80088
0.8352 Intermediate Similarity NPC474889
0.8352 Intermediate Similarity NPC76879
0.8352 Intermediate Similarity NPC214387
0.8352 Intermediate Similarity NPC123912
0.8352 Intermediate Similarity NPC472973
0.8352 Intermediate Similarity NPC262858
0.8352 Intermediate Similarity NPC472240
0.8352 Intermediate Similarity NPC472970
0.8352 Intermediate Similarity NPC472971
0.8351 Intermediate Similarity NPC234892
0.8333 Intermediate Similarity NPC316964
0.8333 Intermediate Similarity NPC112167
0.8333 Intermediate Similarity NPC317590
0.8333 Intermediate Similarity NPC154072
0.8333 Intermediate Similarity NPC73875
0.8333 Intermediate Similarity NPC202642
0.8333 Intermediate Similarity NPC144956
0.8333 Intermediate Similarity NPC327431
0.8333 Intermediate Similarity NPC99909
0.8333 Intermediate Similarity NPC46160
0.8333 Intermediate Similarity NPC90652
0.8333 Intermediate Similarity NPC287833
0.8316 Intermediate Similarity NPC18509
0.8316 Intermediate Similarity NPC253826

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC191684 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
0.9205 High Similarity NPD6079 Approved
0.9195 High Similarity NPD5328 Approved
0.907 High Similarity NPD3618 Phase 1
0.8837 High Similarity NPD4786 Approved
0.8804 High Similarity NPD4697 Phase 3
0.8681 High Similarity NPD4202 Approved
0.8636 High Similarity NPD5279 Phase 3
0.8621 High Similarity NPD3665 Phase 1
0.8621 High Similarity NPD3133 Approved
0.8621 High Similarity NPD3666 Approved
0.8605 High Similarity NPD3667 Approved
0.8602 High Similarity NPD5222 Approved
0.8602 High Similarity NPD5220 Clinical (unspecified phase)
0.8602 High Similarity NPD5221 Approved
0.8511 High Similarity NPD5173 Approved
0.8333 Intermediate Similarity NPD5285 Approved
0.8333 Intermediate Similarity NPD5286 Approved
0.8333 Intermediate Similarity NPD4696 Approved
0.8316 Intermediate Similarity NPD4755 Approved
0.8247 Intermediate Similarity NPD5223 Approved
0.8222 Intermediate Similarity NPD5690 Phase 2
0.8182 Intermediate Similarity NPD4221 Approved
0.8182 Intermediate Similarity NPD4223 Phase 3
0.8172 Intermediate Similarity NPD7515 Phase 2
0.8163 Intermediate Similarity NPD5225 Approved
0.8163 Intermediate Similarity NPD4633 Approved
0.8163 Intermediate Similarity NPD5211 Phase 2
0.8163 Intermediate Similarity NPD5224 Approved
0.8163 Intermediate Similarity NPD5226 Approved
0.8152 Intermediate Similarity NPD4753 Phase 2
0.8144 Intermediate Similarity NPD4700 Approved
0.8111 Intermediate Similarity NPD5329 Approved
0.8081 Intermediate Similarity NPD5174 Approved
0.8081 Intermediate Similarity NPD5175 Approved
0.8022 Intermediate Similarity NPD4694 Approved
0.8022 Intermediate Similarity NPD5280 Approved
0.8022 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4197 Approved
0.8 Intermediate Similarity NPD5141 Approved
0.7941 Intermediate Similarity NPD6881 Approved
0.7941 Intermediate Similarity NPD6899 Approved
0.7921 Intermediate Similarity NPD5739 Approved
0.7921 Intermediate Similarity NPD7128 Approved
0.7921 Intermediate Similarity NPD6675 Approved
0.7921 Intermediate Similarity NPD6402 Approved
0.7917 Intermediate Similarity NPD5210 Approved
0.7917 Intermediate Similarity NPD4629 Approved
0.7912 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.79 Intermediate Similarity NPD4754 Approved
0.7895 Intermediate Similarity NPD6399 Phase 3
0.7889 Intermediate Similarity NPD4788 Approved
0.7843 Intermediate Similarity NPD5697 Approved
0.7826 Intermediate Similarity NPD5205 Approved
0.7826 Intermediate Similarity NPD5330 Approved
0.7826 Intermediate Similarity NPD4689 Approved
0.7826 Intermediate Similarity NPD7334 Approved
0.7826 Intermediate Similarity NPD7521 Approved
0.7826 Intermediate Similarity NPD7146 Approved
0.7826 Intermediate Similarity NPD4693 Phase 3
0.7826 Intermediate Similarity NPD6684 Approved
0.7826 Intermediate Similarity NPD4690 Approved
0.7826 Intermediate Similarity NPD6409 Approved
0.7826 Intermediate Similarity NPD4688 Approved
0.7826 Intermediate Similarity NPD4138 Approved
0.7812 Intermediate Similarity NPD7748 Approved
0.7802 Intermediate Similarity NPD3668 Phase 3
0.7791 Intermediate Similarity NPD6942 Approved
0.7791 Intermediate Similarity NPD7339 Approved
0.7788 Intermediate Similarity NPD7102 Approved
0.7788 Intermediate Similarity NPD7290 Approved
0.7788 Intermediate Similarity NPD6883 Approved
0.7767 Intermediate Similarity NPD4729 Approved
0.7767 Intermediate Similarity NPD5128 Approved
0.7767 Intermediate Similarity NPD7320 Approved
0.7767 Intermediate Similarity NPD4730 Approved
0.7767 Intermediate Similarity NPD6011 Approved
0.7767 Intermediate Similarity NPD5168 Approved
0.7755 Intermediate Similarity NPD6084 Phase 2
0.7755 Intermediate Similarity NPD6083 Phase 2
0.7753 Intermediate Similarity NPD7525 Registered
0.7745 Intermediate Similarity NPD4768 Approved
0.7745 Intermediate Similarity NPD4767 Approved
0.7732 Intermediate Similarity NPD5695 Phase 3
0.7727 Intermediate Similarity NPD3617 Approved
0.7714 Intermediate Similarity NPD6869 Approved
0.7714 Intermediate Similarity NPD6847 Approved
0.7714 Intermediate Similarity NPD8130 Phase 1
0.7714 Intermediate Similarity NPD6649 Approved
0.7714 Intermediate Similarity NPD6650 Approved
0.7714 Intermediate Similarity NPD6617 Approved
0.7692 Intermediate Similarity NPD6013 Approved
0.7692 Intermediate Similarity NPD6014 Approved
0.7692 Intermediate Similarity NPD6372 Approved
0.7692 Intermediate Similarity NPD6373 Approved
0.7692 Intermediate Similarity NPD6012 Approved
0.7674 Intermediate Similarity NPD5733 Approved
0.767 Intermediate Similarity NPD5701 Approved
0.766 Intermediate Similarity NPD6903 Approved
0.766 Intermediate Similarity NPD5737 Approved
0.766 Intermediate Similarity NPD6672 Approved
0.766 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7642 Intermediate Similarity NPD8297 Approved
0.7642 Intermediate Similarity NPD6882 Approved
0.764 Intermediate Similarity NPD4195 Approved
0.7619 Intermediate Similarity NPD5247 Approved
0.7619 Intermediate Similarity NPD5135 Approved
0.7619 Intermediate Similarity NPD5169 Approved
0.7619 Intermediate Similarity NPD5248 Approved
0.7619 Intermediate Similarity NPD5249 Phase 3
0.7619 Intermediate Similarity NPD4634 Approved
0.7619 Intermediate Similarity NPD5251 Approved
0.7619 Intermediate Similarity NPD5250 Approved
0.7619 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD5281 Approved
0.7604 Intermediate Similarity NPD5284 Approved
0.7576 Intermediate Similarity NPD7902 Approved
0.7556 Intermediate Similarity NPD4695 Discontinued
0.7547 Intermediate Similarity NPD5127 Approved
0.7547 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD5216 Approved
0.7547 Intermediate Similarity NPD5217 Approved
0.7547 Intermediate Similarity NPD5215 Approved
0.7529 Intermediate Similarity NPD4747 Approved
0.7529 Intermediate Similarity NPD4691 Approved
0.75 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7638 Approved
0.75 Intermediate Similarity NPD4096 Approved
0.7473 Intermediate Similarity NPD4692 Approved
0.7473 Intermediate Similarity NPD4139 Approved
0.7471 Intermediate Similarity NPD4687 Approved
0.7442 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD5276 Approved
0.7431 Intermediate Similarity NPD6868 Approved
0.7426 Intermediate Similarity NPD7639 Approved
0.7426 Intermediate Similarity NPD7640 Approved
0.7412 Intermediate Similarity NPD4137 Phase 3
0.7407 Intermediate Similarity NPD4632 Approved
0.7374 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD7115 Discovery
0.7347 Intermediate Similarity NPD5133 Approved
0.7339 Intermediate Similarity NPD5167 Approved
0.7327 Intermediate Similarity NPD5290 Discontinued
0.7327 Intermediate Similarity NPD5696 Approved
0.7297 Intermediate Similarity NPD6335 Approved
0.7292 Intermediate Similarity NPD4518 Approved
0.7273 Intermediate Similarity NPD4058 Approved
0.7273 Intermediate Similarity NPD7900 Approved
0.7273 Intermediate Similarity NPD6274 Approved
0.7273 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD4623 Approved
0.7263 Intermediate Similarity NPD4519 Discontinued
0.7253 Intermediate Similarity NPD7645 Phase 2
0.7245 Intermediate Similarity NPD6050 Approved
0.7245 Intermediate Similarity NPD8035 Phase 2
0.7245 Intermediate Similarity NPD8034 Phase 2
0.7232 Intermediate Similarity NPD7101 Approved
0.7232 Intermediate Similarity NPD7100 Approved
0.7216 Intermediate Similarity NPD6904 Approved
0.7216 Intermediate Similarity NPD6080 Approved
0.7216 Intermediate Similarity NPD6673 Approved
0.7209 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD6317 Approved
0.7207 Intermediate Similarity NPD6009 Approved
0.7188 Intermediate Similarity NPD3573 Approved
0.7174 Intermediate Similarity NPD4748 Discontinued
0.7174 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD6412 Phase 2
0.7168 Intermediate Similarity NPD6054 Approved
0.7143 Intermediate Similarity NPD5692 Phase 3
0.7143 Intermediate Similarity NPD6314 Approved
0.7143 Intermediate Similarity NPD6313 Approved
0.7143 Intermediate Similarity NPD5207 Approved
0.7113 Intermediate Similarity NPD5208 Approved
0.7111 Intermediate Similarity NPD6117 Approved
0.71 Intermediate Similarity NPD6001 Approved
0.7087 Intermediate Similarity NPD6404 Discontinued
0.7083 Intermediate Similarity NPD6098 Approved
0.7079 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD6926 Approved
0.7079 Intermediate Similarity NPD6924 Approved
0.7075 Intermediate Similarity NPD6008 Approved
0.7071 Intermediate Similarity NPD5694 Approved
0.7045 Intermediate Similarity NPD4243 Approved
0.7043 Intermediate Similarity NPD6370 Approved
0.7041 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD6116 Phase 1
0.7018 Intermediate Similarity NPD6319 Approved
0.7018 Intermediate Similarity NPD6059 Approved
0.7 Intermediate Similarity NPD3703 Phase 2
0.6983 Remote Similarity NPD7604 Phase 2
0.6979 Remote Similarity NPD1694 Approved
0.6957 Remote Similarity NPD6697 Approved
0.6957 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6118 Approved
0.6957 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6957 Remote Similarity NPD5983 Phase 2
0.6957 Remote Similarity NPD6016 Approved
0.6957 Remote Similarity NPD6909 Approved

Structure

External Identifiers

PubChem CID   14484704
ChEMBL   CHEMBL490377
ZINC  

Physicochemical Properties

Molecular Weight:  454.34
ALogP:  2.6793
MLogP:  4.43
XLogP:  6.863
# Rotatable Bonds:  13
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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