Natural Product: NPC250575

Natural Product ID:  NPC250575
Common Name:   Ganoderic Aldehyde Tr
IUPAC Name:   (Z,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal
Synonyms:   Ganoderic Aldehyde Tr
Molecular Formula:   C30H44O3
Standard InCHIKey:  CQYCAQYQKRBNHY-RGKQSROTSA-N
Standard InCHI:  InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,18,20,23-24,26,33H,8,10,12,14-17H2,1-7H3/b19-9-/t20-,23-,24+,26+,28-,29-,30-/m1/s1
Canonical SMILES:  O=C/C(=CCC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)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[20384295]
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota TM-MC*
NPO16609 Ganoderma sinense Species Ganodermataceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 6000 nM 20384295

  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 NPC250575 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
0.9101 High Similarity NPC191684
0.9101 High Similarity NPC69622
0.907 High Similarity NPC473246
0.9032 High Similarity NPC166745
0.9032 High Similarity NPC235464
0.8977 High Similarity NPC136548
0.8901 High Similarity NPC472942
0.8876 High Similarity NPC471722
0.8864 High Similarity NPC474732
0.8864 High Similarity NPC475022
0.8864 High Similarity NPC31564
0.8864 High Similarity NPC118648
0.8864 High Similarity NPC474733
0.8864 High Similarity NPC145879
0.8864 High Similarity NPC222613
0.8864 High Similarity NPC474778
0.8851 High Similarity NPC85774
0.8851 High Similarity NPC161423
0.8851 High Similarity NPC227064
0.8851 High Similarity NPC58841
0.8851 High Similarity NPC329043
0.8851 High Similarity NPC321187
0.8851 High Similarity NPC82902
0.8851 High Similarity NPC214043
0.8778 High Similarity NPC477943
0.8764 High Similarity NPC58063
0.8764 High Similarity NPC475772
0.8764 High Similarity NPC475740
0.875 High Similarity NPC474218
0.875 High Similarity NPC469948
0.871 High Similarity NPC472932
0.8696 High Similarity NPC152897
0.8696 High Similarity NPC134826
0.8696 High Similarity NPC66429
0.8681 High Similarity NPC183283
0.8667 High Similarity NPC328313
0.8652 High Similarity NPC72133
0.8652 High Similarity NPC469994
0.8652 High Similarity NPC94755
0.8652 High Similarity NPC89077
0.8646 High Similarity NPC99411
0.8636 High Similarity NPC221758
0.8636 High Similarity NPC59453
0.8636 High Similarity NPC472265
0.8632 High Similarity NPC197386
0.8587 High Similarity NPC19114
0.8571 High Similarity NPC76879
0.8571 High Similarity NPC26959
0.8571 High Similarity NPC275740
0.8571 High Similarity NPC86319
0.8571 High Similarity NPC186688
0.8571 High Similarity NPC268406
0.8571 High Similarity NPC1015
0.8571 High Similarity NPC31985
0.8556 High Similarity NPC93778
0.8556 High Similarity NPC317590
0.8539 High Similarity NPC474083
0.8511 High Similarity NPC263347
0.8506 High Similarity NPC121984
0.8495 Intermediate Similarity NPC474736
0.8488 Intermediate Similarity NPC170793
0.8488 Intermediate Similarity NPC472490
0.8478 Intermediate Similarity NPC129913
0.8478 Intermediate Similarity NPC48010
0.8462 Intermediate Similarity NPC44181
0.8462 Intermediate Similarity NPC471724
0.8462 Intermediate Similarity NPC143767
0.8462 Intermediate Similarity NPC131470
0.8444 Intermediate Similarity NPC473168
0.8444 Intermediate Similarity NPC327115
0.8444 Intermediate Similarity NPC51014
0.8438 Intermediate Similarity NPC147954
0.8427 Intermediate Similarity NPC33913
0.8427 Intermediate Similarity NPC237712
0.8421 Intermediate Similarity NPC155676
0.8409 Intermediate Similarity NPC193347
0.8409 Intermediate Similarity NPC151519
0.8404 Intermediate Similarity NPC111015
0.8391 Intermediate Similarity NPC2482
0.8391 Intermediate Similarity NPC472478
0.8387 Intermediate Similarity NPC272746
0.837 Intermediate Similarity NPC84271
0.837 Intermediate Similarity NPC310010
0.837 Intermediate Similarity NPC2983
0.837 Intermediate Similarity NPC102414
0.837 Intermediate Similarity NPC473999
0.837 Intermediate Similarity NPC119416
0.837 Intermediate Similarity NPC309603
0.837 Intermediate Similarity NPC77168
0.837 Intermediate Similarity NPC326627
0.837 Intermediate Similarity NPC54689
0.8367 Intermediate Similarity NPC473424
0.8352 Intermediate Similarity NPC141292
0.8352 Intermediate Similarity NPC287079
0.8351 Intermediate Similarity NPC474720
0.8333 Intermediate Similarity NPC471224
0.8333 Intermediate Similarity NPC470574
0.8316 Intermediate Similarity NPC45324
0.8316 Intermediate Similarity NPC222845
0.8316 Intermediate Similarity NPC162001
0.8316 Intermediate Similarity NPC127063
0.8315 Intermediate Similarity NPC476082
0.8315 Intermediate Similarity NPC83569
0.8315 Intermediate Similarity NPC278648
0.8315 Intermediate Similarity NPC69279
0.8298 Intermediate Similarity NPC206810
0.8298 Intermediate Similarity NPC25750
0.8298 Intermediate Similarity NPC69454
0.8298 Intermediate Similarity NPC472930
0.8295 Intermediate Similarity NPC6434
0.8283 Intermediate Similarity NPC111323
0.828 Intermediate Similarity NPC171441
0.828 Intermediate Similarity NPC46281
0.828 Intermediate Similarity NPC85173
0.828 Intermediate Similarity NPC126993
0.828 Intermediate Similarity NPC320026
0.8261 Intermediate Similarity NPC328539
0.8261 Intermediate Similarity NPC206060
0.8261 Intermediate Similarity NPC292491
0.8261 Intermediate Similarity NPC472483
0.8261 Intermediate Similarity NPC48866
0.8261 Intermediate Similarity NPC310752
0.8261 Intermediate Similarity NPC247406
0.8247 Intermediate Similarity NPC471717
0.8247 Intermediate Similarity NPC103051
0.8242 Intermediate Similarity NPC20688
0.8242 Intermediate Similarity NPC155011
0.8229 Intermediate Similarity NPC472941
0.8229 Intermediate Similarity NPC456
0.8229 Intermediate Similarity NPC78473
0.8222 Intermediate Similarity NPC144258
0.8211 Intermediate Similarity NPC166906
0.8211 Intermediate Similarity NPC196485
0.8211 Intermediate Similarity NPC245972
0.8202 Intermediate Similarity NPC260956
0.8202 Intermediate Similarity NPC201852
0.8191 Intermediate Similarity NPC475806
0.8191 Intermediate Similarity NPC63748
0.8191 Intermediate Similarity NPC131872
0.8191 Intermediate Similarity NPC154101
0.8191 Intermediate Similarity NPC204341
0.8191 Intermediate Similarity NPC473998
0.8191 Intermediate Similarity NPC233116
0.8182 Intermediate Similarity NPC87351
0.8182 Intermediate Similarity NPC195290
0.8182 Intermediate Similarity NPC204450
0.8172 Intermediate Similarity NPC32830
0.8172 Intermediate Similarity NPC123912
0.8172 Intermediate Similarity NPC474245
0.8161 Intermediate Similarity NPC189485
0.8152 Intermediate Similarity NPC99909
0.8152 Intermediate Similarity NPC90652
0.8152 Intermediate Similarity NPC472484
0.8152 Intermediate Similarity NPC472482
0.8152 Intermediate Similarity NPC472481
0.8152 Intermediate Similarity NPC159046
0.8152 Intermediate Similarity NPC233836
0.8152 Intermediate Similarity NPC472493
0.8152 Intermediate Similarity NPC187376
0.8152 Intermediate Similarity NPC312215
0.8144 Intermediate Similarity NPC108078
0.814 Intermediate Similarity NPC470525
0.8137 Intermediate Similarity NPC177064
0.8132 Intermediate Similarity NPC202868
0.8132 Intermediate Similarity NPC470048
0.8132 Intermediate Similarity NPC29447
0.8125 Intermediate Similarity NPC469599
0.8125 Intermediate Similarity NPC174948
0.8125 Intermediate Similarity NPC317586
0.8125 Intermediate Similarity NPC241156
0.8125 Intermediate Similarity NPC318282
0.8125 Intermediate Similarity NPC470016
0.8125 Intermediate Similarity NPC173875
0.8125 Intermediate Similarity NPC469995
0.8125 Intermediate Similarity NPC259286
0.8111 Intermediate Similarity NPC470015
0.8111 Intermediate Similarity NPC474748
0.8111 Intermediate Similarity NPC168188
0.8111 Intermediate Similarity NPC470165
0.8111 Intermediate Similarity NPC175410
0.8111 Intermediate Similarity NPC307258
0.8105 Intermediate Similarity NPC243866
0.8105 Intermediate Similarity NPC475255
0.8105 Intermediate Similarity NPC109305
0.8105 Intermediate Similarity NPC12722
0.8105 Intermediate Similarity NPC233118
0.8105 Intermediate Similarity NPC474807
0.81 Intermediate Similarity NPC311612
0.81 Intermediate Similarity NPC236390
0.809 Intermediate Similarity NPC136150
0.809 Intermediate Similarity NPC4166
0.809 Intermediate Similarity NPC116797
0.809 Intermediate Similarity NPC6663
0.809 Intermediate Similarity NPC38350
0.809 Intermediate Similarity NPC201912
0.809 Intermediate Similarity NPC477372
0.8085 Intermediate Similarity NPC123854
0.8085 Intermediate Similarity NPC472476
0.8068 Intermediate Similarity NPC90965
0.8065 Intermediate Similarity NPC470417

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC250575 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
0.8864 High Similarity NPD5279 Phase 3
0.8851 High Similarity NPD3666 Approved
0.8851 High Similarity NPD3133 Approved
0.8851 High Similarity NPD3665 Phase 1
0.8652 High Similarity NPD4694 Approved
0.8652 High Similarity NPD5280 Approved
0.8636 High Similarity NPD4786 Approved
0.8444 Intermediate Similarity NPD5690 Phase 2
0.8409 Intermediate Similarity NPD3667 Approved
0.8409 Intermediate Similarity NPD4221 Approved
0.8409 Intermediate Similarity NPD4223 Phase 3
0.8387 Intermediate Similarity NPD6079 Approved
0.837 Intermediate Similarity NPD4753 Phase 2
0.837 Intermediate Similarity NPD5328 Approved
0.8333 Intermediate Similarity NPD5329 Approved
0.8298 Intermediate Similarity NPD4202 Approved
0.8242 Intermediate Similarity NPD3618 Phase 1
0.8222 Intermediate Similarity NPD4197 Approved
0.8191 Intermediate Similarity NPD5281 Approved
0.8191 Intermediate Similarity NPD5284 Approved
0.8125 Intermediate Similarity NPD4629 Approved
0.8125 Intermediate Similarity NPD5210 Approved
0.8111 Intermediate Similarity NPD4788 Approved
0.8085 Intermediate Similarity NPD4096 Approved
0.8065 Intermediate Similarity NPD4518 Approved
0.8043 Intermediate Similarity NPD5330 Approved
0.8043 Intermediate Similarity NPD4689 Approved
0.8043 Intermediate Similarity NPD7146 Approved
0.8043 Intermediate Similarity NPD4138 Approved
0.8043 Intermediate Similarity NPD7334 Approved
0.8043 Intermediate Similarity NPD4688 Approved
0.8043 Intermediate Similarity NPD4693 Phase 3
0.8043 Intermediate Similarity NPD6684 Approved
0.8043 Intermediate Similarity NPD4690 Approved
0.8043 Intermediate Similarity NPD5205 Approved
0.8043 Intermediate Similarity NPD7521 Approved
0.8043 Intermediate Similarity NPD6409 Approved
0.8041 Intermediate Similarity NPD4697 Phase 3
0.798 Intermediate Similarity NPD4696 Approved
0.798 Intermediate Similarity NPD5285 Approved
0.798 Intermediate Similarity NPD5286 Approved
0.7959 Intermediate Similarity NPD4755 Approved
0.7959 Intermediate Similarity NPD6084 Phase 2
0.7959 Intermediate Similarity NPD6083 Phase 2
0.7938 Intermediate Similarity NPD5695 Phase 3
0.7917 Intermediate Similarity NPD5133 Approved
0.7907 Intermediate Similarity NPD5733 Approved
0.79 Intermediate Similarity NPD5223 Approved
0.7872 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD6903 Approved
0.7865 Intermediate Similarity NPD4195 Approved
0.7857 Intermediate Similarity NPD5221 Approved
0.7857 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD5222 Approved
0.7822 Intermediate Similarity NPD5224 Approved
0.7822 Intermediate Similarity NPD4633 Approved
0.7822 Intermediate Similarity NPD5226 Approved
0.7822 Intermediate Similarity NPD5211 Phase 2
0.7822 Intermediate Similarity NPD5225 Approved
0.7812 Intermediate Similarity NPD6050 Approved
0.78 Intermediate Similarity NPD4700 Approved
0.7778 Intermediate Similarity NPD5173 Approved
0.7745 Intermediate Similarity NPD5174 Approved
0.7745 Intermediate Similarity NPD5175 Approved
0.7732 Intermediate Similarity NPD6399 Phase 3
0.7727 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7708 Intermediate Similarity NPD5692 Phase 3
0.7708 Intermediate Similarity NPD5207 Approved
0.7701 Intermediate Similarity NPD4687 Approved
0.7692 Intermediate Similarity NPD4692 Approved
0.7692 Intermediate Similarity NPD4139 Approved
0.7674 Intermediate Similarity NPD5276 Approved
0.767 Intermediate Similarity NPD5141 Approved
0.766 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD3668 Phase 3
0.7629 Intermediate Similarity NPD5694 Approved
0.7619 Intermediate Similarity NPD6881 Approved
0.7619 Intermediate Similarity NPD6899 Approved
0.7614 Intermediate Similarity NPD7339 Approved
0.7614 Intermediate Similarity NPD6942 Approved
0.7596 Intermediate Similarity NPD5739 Approved
0.7596 Intermediate Similarity NPD6675 Approved
0.7596 Intermediate Similarity NPD7128 Approved
0.7596 Intermediate Similarity NPD6402 Approved
0.7582 Intermediate Similarity NPD4695 Discontinued
0.7573 Intermediate Similarity NPD4754 Approved
0.7556 Intermediate Similarity NPD3617 Approved
0.7525 Intermediate Similarity NPD5696 Approved
0.7524 Intermediate Similarity NPD5697 Approved
0.75 Intermediate Similarity NPD6672 Approved
0.75 Intermediate Similarity NPD4058 Approved
0.75 Intermediate Similarity NPD6926 Approved
0.75 Intermediate Similarity NPD5737 Approved
0.75 Intermediate Similarity NPD6924 Approved
0.7477 Intermediate Similarity NPD6883 Approved
0.7477 Intermediate Similarity NPD7290 Approved
0.7477 Intermediate Similarity NPD7102 Approved
0.7453 Intermediate Similarity NPD6011 Approved
0.7453 Intermediate Similarity NPD5128 Approved
0.7453 Intermediate Similarity NPD7320 Approved
0.7453 Intermediate Similarity NPD4730 Approved
0.7453 Intermediate Similarity NPD4729 Approved
0.7449 Intermediate Similarity NPD7515 Phase 2
0.7429 Intermediate Similarity NPD4768 Approved
0.7429 Intermediate Similarity NPD4767 Approved
0.7423 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD6904 Approved
0.7423 Intermediate Similarity NPD6673 Approved
0.7423 Intermediate Similarity NPD6080 Approved
0.7407 Intermediate Similarity NPD8130 Phase 1
0.7407 Intermediate Similarity NPD6869 Approved
0.7407 Intermediate Similarity NPD6649 Approved
0.7407 Intermediate Similarity NPD6617 Approved
0.7407 Intermediate Similarity NPD6847 Approved
0.7407 Intermediate Similarity NPD6650 Approved
0.7383 Intermediate Similarity NPD6013 Approved
0.7383 Intermediate Similarity NPD6373 Approved
0.7383 Intermediate Similarity NPD6012 Approved
0.7383 Intermediate Similarity NPD6372 Approved
0.7383 Intermediate Similarity NPD6014 Approved
0.7358 Intermediate Similarity NPD6412 Phase 2
0.7358 Intermediate Similarity NPD5701 Approved
0.7356 Intermediate Similarity NPD4747 Approved
0.7356 Intermediate Similarity NPD4691 Approved
0.7339 Intermediate Similarity NPD6882 Approved
0.7339 Intermediate Similarity NPD8297 Approved
0.7333 Intermediate Similarity NPD6933 Approved
0.732 Intermediate Similarity NPD5208 Approved
0.7315 Intermediate Similarity NPD4634 Approved
0.7315 Intermediate Similarity NPD5247 Approved
0.7315 Intermediate Similarity NPD5248 Approved
0.7315 Intermediate Similarity NPD5249 Phase 3
0.7315 Intermediate Similarity NPD5135 Approved
0.7315 Intermediate Similarity NPD5251 Approved
0.7315 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD5169 Approved
0.7315 Intermediate Similarity NPD5250 Approved
0.7303 Intermediate Similarity NPD4784 Approved
0.7303 Intermediate Similarity NPD4785 Approved
0.7292 Intermediate Similarity NPD6098 Approved
0.7282 Intermediate Similarity NPD6404 Discontinued
0.7273 Intermediate Similarity NPD4243 Approved
0.7248 Intermediate Similarity NPD5216 Approved
0.7248 Intermediate Similarity NPD5215 Approved
0.7248 Intermediate Similarity NPD5127 Approved
0.7248 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5217 Approved
0.7241 Intermediate Similarity NPD6923 Approved
0.7241 Intermediate Similarity NPD4137 Phase 3
0.7241 Intermediate Similarity NPD6922 Approved
0.7228 Intermediate Similarity NPD5654 Approved
0.7228 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD4748 Discontinued
0.7204 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD7144 Approved
0.7159 Intermediate Similarity NPD7143 Approved
0.7159 Intermediate Similarity NPD4245 Approved
0.7159 Intermediate Similarity NPD4244 Approved
0.7143 Intermediate Similarity NPD5091 Approved
0.713 Intermediate Similarity NPD5168 Approved
0.7129 Intermediate Similarity NPD7748 Approved
0.7117 Intermediate Similarity NPD4632 Approved
0.7113 Intermediate Similarity NPD4623 Approved
0.7113 Intermediate Similarity NPD4519 Discontinued
0.71 Intermediate Similarity NPD6411 Approved
0.71 Intermediate Similarity NPD5693 Phase 1
0.7097 Intermediate Similarity NPD6929 Approved
0.7087 Intermediate Similarity NPD5959 Approved
0.7079 Intermediate Similarity NPD7151 Approved
0.7079 Intermediate Similarity NPD7152 Approved
0.7079 Intermediate Similarity NPD7150 Approved
0.7054 Intermediate Similarity NPD5167 Approved
0.7045 Intermediate Similarity NPD3698 Phase 2
0.7041 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6931 Approved
0.7021 Intermediate Similarity NPD7525 Registered
0.7021 Intermediate Similarity NPD6930 Phase 2
0.7019 Intermediate Similarity NPD7638 Approved
0.7018 Intermediate Similarity NPD6335 Approved
0.701 Intermediate Similarity NPD5363 Approved
0.7 Intermediate Similarity NPD5785 Approved
0.6991 Remote Similarity NPD6274 Approved
0.6979 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6961 Remote Similarity NPD6001 Approved
0.6957 Remote Similarity NPD7100 Approved
0.6957 Remote Similarity NPD7101 Approved
0.6952 Remote Similarity NPD7639 Approved
0.6952 Remote Similarity NPD7640 Approved
0.6944 Remote Similarity NPD6008 Approved
0.693 Remote Similarity NPD6009 Approved
0.693 Remote Similarity NPD7115 Discovery
0.693 Remote Similarity NPD6317 Approved
0.6923 Remote Similarity NPD7902 Approved
0.69 Remote Similarity NPD5764 Clinical (unspecified phase)
0.69 Remote Similarity NPD6101 Approved
0.6897 Remote Similarity NPD6054 Approved
0.6889 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6889 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6882 Remote Similarity NPD6925 Approved

Structure

External Identifiers

PubChem CID   46830517
ChEMBL   CHEMBL1097153
ZINC  

Physicochemical Properties

Molecular Weight:  452.33
ALogP:  3.4383
MLogP:  4.43
XLogP:  5.938
# Rotatable Bonds:  13
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  33

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Structure MOL file  
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Biological Activities  
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