Natural Product: NPC471993

Natural Product ID:  NPC471993
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H38O5
Standard InCHIKey:  LFZXQYCTUJQBQF-HHGVHUTBSA-N
Standard InCHI:  InChI=1S/C30H38O5/c1-18-10-15-30(35-26(18)32)19(2)22-12-13-28(5)24-8-7-23-20(6-9-25(31)34-27(23,3)4)16-21(24)11-14-29(22,28)17-33-30/h6,9-10,16,19,22-23H,7-8,11-15,17H2,1-5H3/t19-,22+,23+,28-,29-,30-/m0/s1
Canonical SMILES:  O=C1C=CC2=CC3=C(CC[C@H]2C(O1)(C)C)[C@]1([C@@]2(CC3)CO[C@@]3([C@H]([C@H]2CC1)C)CC=C(C(=O)O3)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
NPO32799 ganoderma sp. km01 Species Ganodermataceae Eukaryota PMID[24992637]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 10000 nM 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 NPC471993 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
0.9082 High Similarity NPC298233
0.9053 High Similarity NPC166143
0.9053 High Similarity NPC120351
0.9053 High Similarity NPC471994
0.86 High Similarity NPC227865
0.8491 Intermediate Similarity NPC262083
0.8491 Intermediate Similarity NPC471484
0.8476 Intermediate Similarity NPC475274
0.8416 Intermediate Similarity NPC290802
0.8396 Intermediate Similarity NPC181298
0.8384 Intermediate Similarity NPC281134
0.8318 Intermediate Similarity NPC255401
0.8318 Intermediate Similarity NPC284162
0.8218 Intermediate Similarity NPC202705
0.8173 Intermediate Similarity NPC280566
0.8173 Intermediate Similarity NPC183570
0.8095 Intermediate Similarity NPC272632
0.8061 Intermediate Similarity NPC177141
0.8056 Intermediate Similarity NPC15551
0.8056 Intermediate Similarity NPC238850
0.7982 Intermediate Similarity NPC71680
0.798 Intermediate Similarity NPC273199
0.7921 Intermediate Similarity NPC304968
0.7921 Intermediate Similarity NPC88507
0.7921 Intermediate Similarity NPC128488
0.7909 Intermediate Similarity NPC241477
0.7778 Intermediate Similarity NPC476958
0.7767 Intermediate Similarity NPC311166
0.7736 Intermediate Similarity NPC475320
0.767 Intermediate Similarity NPC474909
0.767 Intermediate Similarity NPC33473
0.7664 Intermediate Similarity NPC297617
0.7658 Intermediate Similarity NPC470076
0.7653 Intermediate Similarity NPC472442
0.7632 Intermediate Similarity NPC476959
0.7596 Intermediate Similarity NPC112654
0.7573 Intermediate Similarity NPC477722
0.7549 Intermediate Similarity NPC234335
0.7547 Intermediate Similarity NPC13743
0.7547 Intermediate Similarity NPC98813
0.7547 Intermediate Similarity NPC473204
0.7545 Intermediate Similarity NPC61411
0.7524 Intermediate Similarity NPC99726
0.7524 Intermediate Similarity NPC472188
0.7524 Intermediate Similarity NPC98112
0.7524 Intermediate Similarity NPC47834
0.7523 Intermediate Similarity NPC172867
0.75 Intermediate Similarity NPC475834
0.75 Intermediate Similarity NPC471372
0.75 Intermediate Similarity NPC45897
0.75 Intermediate Similarity NPC85742
0.75 Intermediate Similarity NPC171395
0.75 Intermediate Similarity NPC474179
0.75 Intermediate Similarity NPC472189
0.75 Intermediate Similarity NPC471362
0.7477 Intermediate Similarity NPC310981
0.7456 Intermediate Similarity NPC216665
0.7456 Intermediate Similarity NPC43213
0.7455 Intermediate Similarity NPC109376
0.7453 Intermediate Similarity NPC476800
0.7453 Intermediate Similarity NPC92275
0.7453 Intermediate Similarity NPC471366
0.7453 Intermediate Similarity NPC318917
0.7453 Intermediate Similarity NPC472186
0.7453 Intermediate Similarity NPC98868
0.7451 Intermediate Similarity NPC469372
0.7451 Intermediate Similarity NPC469595
0.7451 Intermediate Similarity NPC212679
0.7451 Intermediate Similarity NPC220454
0.7449 Intermediate Similarity NPC472440
0.7434 Intermediate Similarity NPC236217
0.7429 Intermediate Similarity NPC73858
0.7429 Intermediate Similarity NPC171598
0.7429 Intermediate Similarity NPC111684
0.7429 Intermediate Similarity NPC58052
0.7414 Intermediate Similarity NPC475913
0.7411 Intermediate Similarity NPC103491
0.7404 Intermediate Similarity NPC469491
0.74 Intermediate Similarity NPC471219
0.7391 Intermediate Similarity NPC207637
0.7391 Intermediate Similarity NPC470075
0.7387 Intermediate Similarity NPC224660
0.7387 Intermediate Similarity NPC220155
0.7387 Intermediate Similarity NPC470024
0.7383 Intermediate Similarity NPC472187
0.7383 Intermediate Similarity NPC473545
0.7379 Intermediate Similarity NPC177641
0.7364 Intermediate Similarity NPC218158
0.7364 Intermediate Similarity NPC127790
0.7358 Intermediate Similarity NPC141401
0.7353 Intermediate Similarity NPC284561
0.7353 Intermediate Similarity NPC474844
0.735 Intermediate Similarity NPC219656
0.7339 Intermediate Similarity NPC23584
0.7339 Intermediate Similarity NPC134270
0.7333 Intermediate Similarity NPC241456
0.7333 Intermediate Similarity NPC32868
0.7327 Intermediate Similarity NPC316138
0.7327 Intermediate Similarity NPC313658
0.7321 Intermediate Similarity NPC137911
0.7321 Intermediate Similarity NPC228477
0.7321 Intermediate Similarity NPC475030
0.7315 Intermediate Similarity NPC116139
0.7315 Intermediate Similarity NPC146822
0.7315 Intermediate Similarity NPC474899
0.7315 Intermediate Similarity NPC474912
0.7315 Intermediate Similarity NPC168319
0.7315 Intermediate Similarity NPC194028
0.7308 Intermediate Similarity NPC475657
0.7304 Intermediate Similarity NPC474181
0.729 Intermediate Similarity NPC218107
0.729 Intermediate Similarity NPC65700
0.7282 Intermediate Similarity NPC302280
0.7281 Intermediate Similarity NPC150228
0.7281 Intermediate Similarity NPC214005
0.7281 Intermediate Similarity NPC44537
0.7273 Intermediate Similarity NPC470321
0.7273 Intermediate Similarity NPC165969
0.7273 Intermediate Similarity NPC200861
0.7273 Intermediate Similarity NPC201880
0.7273 Intermediate Similarity NPC264867
0.7273 Intermediate Similarity NPC474898
0.7273 Intermediate Similarity NPC473207
0.7273 Intermediate Similarity NPC179261
0.7273 Intermediate Similarity NPC81567
0.7273 Intermediate Similarity NPC30502
0.7265 Intermediate Similarity NPC288679
0.7265 Intermediate Similarity NPC13710
0.7264 Intermediate Similarity NPC8954
0.7264 Intermediate Similarity NPC94905
0.7264 Intermediate Similarity NPC190713
0.7257 Intermediate Similarity NPC316708
0.7255 Intermediate Similarity NPC473879
0.725 Intermediate Similarity NPC204812
0.7248 Intermediate Similarity NPC469606
0.7248 Intermediate Similarity NPC238397
0.7248 Intermediate Similarity NPC471363
0.7248 Intermediate Similarity NPC66110
0.7248 Intermediate Similarity NPC11956
0.7248 Intermediate Similarity NPC31058
0.7248 Intermediate Similarity NPC273005
0.7241 Intermediate Similarity NPC190286
0.7238 Intermediate Similarity NPC104925
0.7238 Intermediate Similarity NPC298973
0.7238 Intermediate Similarity NPC477129
0.7238 Intermediate Similarity NPC279410
0.7238 Intermediate Similarity NPC119562
0.7238 Intermediate Similarity NPC477130
0.7232 Intermediate Similarity NPC304276
0.7232 Intermediate Similarity NPC137462
0.7227 Intermediate Similarity NPC470829
0.7227 Intermediate Similarity NPC233500
0.7227 Intermediate Similarity NPC473228
0.7222 Intermediate Similarity NPC477721
0.7222 Intermediate Similarity NPC241221
0.7222 Intermediate Similarity NPC477716
0.7217 Intermediate Similarity NPC287075
0.7217 Intermediate Similarity NPC171126
0.7216 Intermediate Similarity NPC190211
0.7212 Intermediate Similarity NPC65513
0.7207 Intermediate Similarity NPC29389
0.7207 Intermediate Similarity NPC469960
0.7207 Intermediate Similarity NPC265502
0.7207 Intermediate Similarity NPC252296
0.7207 Intermediate Similarity NPC82251
0.7207 Intermediate Similarity NPC93026
0.7203 Intermediate Similarity NPC305260
0.7203 Intermediate Similarity NPC270850
0.7196 Intermediate Similarity NPC204054
0.7196 Intermediate Similarity NPC96597
0.7196 Intermediate Similarity NPC125551
0.7196 Intermediate Similarity NPC110937
0.7196 Intermediate Similarity NPC239547
0.7196 Intermediate Similarity NPC155319
0.7196 Intermediate Similarity NPC257726
0.7196 Intermediate Similarity NPC309503
0.7196 Intermediate Similarity NPC91197
0.7193 Intermediate Similarity NPC470026
0.7193 Intermediate Similarity NPC474315
0.7193 Intermediate Similarity NPC17791
0.7184 Intermediate Similarity NPC293044
0.7182 Intermediate Similarity NPC470954
0.7182 Intermediate Similarity NPC475889
0.7182 Intermediate Similarity NPC7613
0.7182 Intermediate Similarity NPC127933
0.7182 Intermediate Similarity NPC171014
0.7182 Intermediate Similarity NPC7644
0.7179 Intermediate Similarity NPC203862
0.7172 Intermediate Similarity NPC471218
0.7168 Intermediate Similarity NPC112457
0.7168 Intermediate Similarity NPC75389
0.7167 Intermediate Similarity NPC196130
0.7167 Intermediate Similarity NPC471082
0.7157 Intermediate Similarity NPC125925
0.7157 Intermediate Similarity NPC199382
0.7156 Intermediate Similarity NPC477717
0.7156 Intermediate Similarity NPC25177
0.7156 Intermediate Similarity NPC247701
0.7156 Intermediate Similarity NPC62670
0.7156 Intermediate Similarity NPC268829

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471993 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
0.7521 Intermediate Similarity NPD7503 Approved
0.7184 Intermediate Similarity NPD6051 Approved
0.713 Intermediate Similarity NPD7638 Approved
0.7064 Intermediate Similarity NPD7640 Approved
0.7064 Intermediate Similarity NPD7639 Approved
0.6983 Remote Similarity NPD6053 Discontinued
0.6972 Remote Similarity NPD8029 Clinical (unspecified phase)
0.693 Remote Similarity NPD6686 Approved
0.6923 Remote Similarity NPD6672 Approved
0.6923 Remote Similarity NPD5737 Approved
0.6887 Remote Similarity NPD6050 Approved
0.6887 Remote Similarity NPD5694 Approved
0.6887 Remote Similarity NPD5693 Phase 1
0.6833 Remote Similarity NPD7327 Approved
0.6833 Remote Similarity NPD7328 Approved
0.6832 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6803 Remote Similarity NPD8033 Approved
0.6792 Remote Similarity NPD5692 Phase 3
0.6792 Remote Similarity NPD5207 Approved
0.6777 Remote Similarity NPD7516 Approved
0.675 Remote Similarity NPD7115 Discovery
0.6731 Remote Similarity NPD5330 Approved
0.6731 Remote Similarity NPD7521 Approved
0.6731 Remote Similarity NPD6684 Approved
0.6731 Remote Similarity NPD7334 Approved
0.6731 Remote Similarity NPD6409 Approved
0.6731 Remote Similarity NPD7146 Approved
0.6729 Remote Similarity NPD7637 Suspended
0.6721 Remote Similarity NPD8377 Approved
0.6721 Remote Similarity NPD8294 Approved
0.6698 Remote Similarity NPD6673 Approved
0.6698 Remote Similarity NPD6904 Approved
0.6698 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD8380 Approved
0.6667 Remote Similarity NPD8335 Approved
0.6667 Remote Similarity NPD8296 Approved
0.6667 Remote Similarity NPD8379 Approved
0.6667 Remote Similarity NPD8378 Approved
0.6609 Remote Similarity NPD6008 Approved
0.6604 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6604 Remote Similarity NPD6903 Approved
0.6587 Remote Similarity NPD7507 Approved
0.6577 Remote Similarity NPD6083 Phase 2
0.6577 Remote Similarity NPD6084 Phase 2
0.6574 Remote Similarity NPD5281 Approved
0.6574 Remote Similarity NPD5284 Approved
0.6555 Remote Similarity NPD6882 Approved
0.6552 Remote Similarity NPD6412 Phase 2
0.6545 Remote Similarity NPD5695 Phase 3
0.6545 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6399 Phase 3
0.6491 Remote Similarity NPD7632 Discontinued
0.6481 Remote Similarity NPD7838 Discovery
0.6476 Remote Similarity NPD1694 Approved
0.6475 Remote Similarity NPD6009 Approved
0.6465 Remote Similarity NPD8039 Approved
0.6462 Remote Similarity NPD7260 Phase 2
0.646 Remote Similarity NPD6648 Approved
0.6449 Remote Similarity NPD5208 Approved
0.6442 Remote Similarity NPD6695 Phase 3
0.6434 Remote Similarity NPD7319 Approved
0.6415 Remote Similarity NPD6098 Approved
0.6396 Remote Similarity NPD5654 Approved
0.6387 Remote Similarity NPD6371 Approved
0.6381 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6378 Remote Similarity NPD7492 Approved
0.6373 Remote Similarity NPD4195 Approved
0.6372 Remote Similarity NPD5696 Approved
0.6356 Remote Similarity NPD6881 Approved
0.6356 Remote Similarity NPD6899 Approved
0.6355 Remote Similarity NPD3573 Approved
0.6346 Remote Similarity NPD5209 Approved
0.6328 Remote Similarity NPD6616 Approved
0.632 Remote Similarity NPD6054 Approved
0.6283 Remote Similarity NPD5959 Approved
0.6279 Remote Similarity NPD7078 Approved
0.6277 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6273 Remote Similarity NPD6411 Approved
0.6271 Remote Similarity NPD5697 Approved
0.627 Remote Similarity NPD8513 Phase 3
0.625 Remote Similarity NPD7290 Approved
0.625 Remote Similarity NPD6883 Approved
0.625 Remote Similarity NPD7102 Approved
0.6239 Remote Similarity NPD1695 Approved
0.6231 Remote Similarity NPD7736 Approved
0.623 Remote Similarity NPD4632 Approved
0.6228 Remote Similarity NPD4225 Approved
0.622 Remote Similarity NPD6370 Approved
0.6218 Remote Similarity NPD6011 Approved
0.6216 Remote Similarity NPD5778 Approved
0.6216 Remote Similarity NPD5779 Approved
0.6204 Remote Similarity NPD7524 Approved
0.6204 Remote Similarity NPD7750 Discontinued
0.6198 Remote Similarity NPD8130 Phase 1
0.6198 Remote Similarity NPD6847 Approved
0.6198 Remote Similarity NPD6649 Approved
0.6198 Remote Similarity NPD6869 Approved
0.6198 Remote Similarity NPD6617 Approved
0.6198 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6198 Remote Similarity NPD6650 Approved
0.6186 Remote Similarity NPD5739 Approved
0.6186 Remote Similarity NPD6402 Approved
0.6186 Remote Similarity NPD6675 Approved
0.6186 Remote Similarity NPD7128 Approved
0.6182 Remote Similarity NPD5785 Approved
0.6174 Remote Similarity NPD6404 Discontinued
0.6167 Remote Similarity NPD6014 Approved
0.6167 Remote Similarity NPD6012 Approved
0.6167 Remote Similarity NPD6013 Approved
0.6161 Remote Similarity NPD6001 Approved
0.6154 Remote Similarity NPD6931 Approved
0.6154 Remote Similarity NPD6930 Phase 2
0.6154 Remote Similarity NPD7514 Phase 3
0.6148 Remote Similarity NPD8297 Approved
0.6142 Remote Similarity NPD6016 Approved
0.6142 Remote Similarity NPD8517 Approved
0.6142 Remote Similarity NPD6015 Approved
0.6142 Remote Similarity NPD8515 Approved
0.6142 Remote Similarity NPD8516 Approved
0.6134 Remote Similarity NPD6614 Approved
0.6134 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6126 Remote Similarity NPD6079 Approved
0.6121 Remote Similarity NPD5344 Discontinued
0.6111 Remote Similarity NPD5690 Phase 2
0.6111 Remote Similarity NPD4694 Approved
0.6111 Remote Similarity NPD5279 Phase 3
0.6111 Remote Similarity NPD5280 Approved
0.6106 Remote Similarity NPD4629 Approved
0.6106 Remote Similarity NPD5210 Approved
0.6098 Remote Similarity NPD8133 Approved
0.6094 Remote Similarity NPD5988 Approved
0.6091 Remote Similarity NPD6101 Approved
0.6091 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6091 Remote Similarity NPD4753 Phase 2
0.6083 Remote Similarity NPD7320 Approved
0.6075 Remote Similarity NPD4786 Approved
0.6063 Remote Similarity NPD6319 Approved
0.6063 Remote Similarity NPD6059 Approved
0.6058 Remote Similarity NPD6929 Approved
0.6055 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6047 Remote Similarity NPD7604 Phase 2
0.6045 Remote Similarity NPD6845 Suspended
0.604 Remote Similarity NPD4785 Approved
0.604 Remote Similarity NPD4687 Approved
0.604 Remote Similarity NPD6926 Approved
0.604 Remote Similarity NPD6924 Approved
0.604 Remote Similarity NPD4784 Approved
0.604 Remote Similarity NPD4058 Approved
0.604 Remote Similarity NPD5733 Approved
0.6038 Remote Similarity NPD4223 Phase 3
0.6038 Remote Similarity NPD4221 Approved
0.6036 Remote Similarity NPD46 Approved
0.6036 Remote Similarity NPD6698 Approved
0.6033 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6033 Remote Similarity NPD6372 Approved
0.6033 Remote Similarity NPD6373 Approved
0.6031 Remote Similarity NPD8293 Discontinued
0.6019 Remote Similarity NPD5329 Approved
0.6019 Remote Similarity NPD6932 Approved
0.6018 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6018 Remote Similarity NPD7748 Approved
0.6018 Remote Similarity NPD7900 Approved
0.6017 Remote Similarity NPD6052 Approved
0.6016 Remote Similarity NPD5983 Phase 2
0.6 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6 Remote Similarity NPD4518 Approved
0.6 Remote Similarity NPD5701 Approved
0.6 Remote Similarity NPD7332 Phase 2
0.5984 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5982 Remote Similarity NPD7087 Discontinued
0.598 Remote Similarity NPD6942 Approved
0.598 Remote Similarity NPD7339 Approved
0.5962 Remote Similarity NPD7145 Approved
0.5954 Remote Similarity NPD6336 Discontinued
0.5946 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5946 Remote Similarity NPD5328 Approved
0.5943 Remote Similarity NPD6902 Approved
0.5935 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5932 Remote Similarity NPD5211 Phase 2
0.5926 Remote Similarity NPD4197 Approved
0.5926 Remote Similarity NPD3665 Phase 1
0.5926 Remote Similarity NPD3133 Approved
0.5926 Remote Similarity NPD3668 Phase 3
0.5926 Remote Similarity NPD3666 Approved
0.5923 Remote Similarity NPD7457 Clinical (unspecified phase)
0.5922 Remote Similarity NPD6933 Approved
0.5913 Remote Similarity NPD5221 Approved
0.5913 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5913 Remote Similarity NPD5222 Approved
0.5909 Remote Similarity NPD8074 Phase 3
0.5906 Remote Similarity NPD6335 Approved
0.5897 Remote Similarity NPD5285 Approved
0.5897 Remote Similarity NPD4696 Approved
0.5897 Remote Similarity NPD5286 Approved
0.5888 Remote Similarity NPD3667 Approved
0.5876 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5873 Remote Similarity NPD6868 Approved
0.5872 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5872 Remote Similarity NPD6893 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3315154
ZINC  

Physicochemical Properties

Molecular Weight:  478.27
ALogP:  2.8971
MLogP:  4.21
XLogP:  5.317
# Rotatable Bonds:  5
Polar Surface Area:  61.83
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  35

Download Data

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