Natural Product: NPC15215

Natural Product ID:  NPC15215
Common Name:   Isophysalin G
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H30O10
Standard InCHIKey:  JMNMXSXLYDOMTI-ZIKQACNZSA-N
Standard InCHI:  InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14+,15-,16+,18-,19+,23-,24+,25+,26+,27-,28+/m1/s1
Canonical SMILES:  O[C@H]1CC(=O)[C@]2(C(=C1)C=C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3([C@@]42O[C@@]21OC[C@@H]1[C@@]([C@@H]4C2=O)(C)C[C@H]3OC1=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
NPO14304.1 Physalis alkekengi var. franchetii Varieties Solanaceae Eukaryota calyces Yilan, Heilongjiang Province, China 2004-SEP PMID[18348534]
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 64010 nM 18348534

  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 NPC15215 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
1.0 High Similarity NPC242486
0.9524 High Similarity NPC243014
0.9274 High Similarity NPC188291
0.9206 High Similarity NPC102316
0.92 High Similarity NPC264192
0.9134 High Similarity NPC168879
0.9055 High Similarity NPC254614
0.9055 High Similarity NPC100390
0.8906 High Similarity NPC6274
0.8906 High Similarity NPC254146
0.8906 High Similarity NPC33378
0.881 High Similarity NPC181999
0.8699 High Similarity NPC470776
0.8468 Intermediate Similarity NPC470775
0.8468 Intermediate Similarity NPC176513
0.8413 Intermediate Similarity NPC112038
0.84 Intermediate Similarity NPC17772
0.8387 Intermediate Similarity NPC474734
0.8387 Intermediate Similarity NPC474046
0.8387 Intermediate Similarity NPC470628
0.8387 Intermediate Similarity NPC259306
0.8359 Intermediate Similarity NPC67251
0.8308 Intermediate Similarity NPC476008
0.8306 Intermediate Similarity NPC117712
0.8306 Intermediate Similarity NPC469877
0.8306 Intermediate Similarity NPC470919
0.8295 Intermediate Similarity NPC470922
0.8295 Intermediate Similarity NPC476729
0.8295 Intermediate Similarity NPC24651
0.8293 Intermediate Similarity NPC302146
0.8281 Intermediate Similarity NPC312833
0.8254 Intermediate Similarity NPC188667
0.8254 Intermediate Similarity NPC204552
0.8254 Intermediate Similarity NPC251310
0.8254 Intermediate Similarity NPC297179
0.8231 Intermediate Similarity NPC477745
0.8217 Intermediate Similarity NPC105926
0.8217 Intermediate Similarity NPC91693
0.8217 Intermediate Similarity NPC265557
0.8217 Intermediate Similarity NPC18945
0.8203 Intermediate Similarity NPC477046
0.8203 Intermediate Similarity NPC102822
0.8189 Intermediate Similarity NPC268958
0.8189 Intermediate Similarity NPC470777
0.8189 Intermediate Similarity NPC469488
0.8175 Intermediate Similarity NPC97908
0.8175 Intermediate Similarity NPC287343
0.8175 Intermediate Similarity NPC122033
0.8175 Intermediate Similarity NPC473590
0.8175 Intermediate Similarity NPC474654
0.8175 Intermediate Similarity NPC470854
0.8168 Intermediate Similarity NPC470780
0.8095 Intermediate Similarity NPC134869
0.8095 Intermediate Similarity NPC328374
0.8095 Intermediate Similarity NPC235539
0.8095 Intermediate Similarity NPC251236
0.8095 Intermediate Similarity NPC207217
0.8095 Intermediate Similarity NPC179626
0.8095 Intermediate Similarity NPC152199
0.8095 Intermediate Similarity NPC96312
0.8095 Intermediate Similarity NPC40632
0.8092 Intermediate Similarity NPC225049
0.8088 Intermediate Similarity NPC251998
0.808 Intermediate Similarity NPC49451
0.808 Intermediate Similarity NPC51978
0.8062 Intermediate Similarity NPC470779
0.8049 Intermediate Similarity NPC472534
0.8049 Intermediate Similarity NPC143706
0.8031 Intermediate Similarity NPC27999
0.8031 Intermediate Similarity NPC477116
0.8029 Intermediate Similarity NPC140045
0.8029 Intermediate Similarity NPC596
0.8029 Intermediate Similarity NPC295885
0.8016 Intermediate Similarity NPC323821
0.8016 Intermediate Similarity NPC143268
0.8016 Intermediate Similarity NPC45218
0.8016 Intermediate Similarity NPC18547
0.8016 Intermediate Similarity NPC268238
0.8016 Intermediate Similarity NPC474906
0.8016 Intermediate Similarity NPC473798
0.8015 Intermediate Similarity NPC262813
0.8 Intermediate Similarity NPC275343
0.8 Intermediate Similarity NPC289312
0.8 Intermediate Similarity NPC474516
0.8 Intermediate Similarity NPC11252
0.7984 Intermediate Similarity NPC109607
0.7984 Intermediate Similarity NPC107338
0.7971 Intermediate Similarity NPC477233
0.7971 Intermediate Similarity NPC477232
0.797 Intermediate Similarity NPC473888
0.7969 Intermediate Similarity NPC106644
0.7969 Intermediate Similarity NPC318751
0.7956 Intermediate Similarity NPC471089
0.7956 Intermediate Similarity NPC190065
0.7956 Intermediate Similarity NPC141215
0.7953 Intermediate Similarity NPC16081
0.7953 Intermediate Similarity NPC173686
0.7941 Intermediate Similarity NPC182266
0.7941 Intermediate Similarity NPC100017
0.7941 Intermediate Similarity NPC223356
0.7941 Intermediate Similarity NPC475500
0.7941 Intermediate Similarity NPC471136
0.7941 Intermediate Similarity NPC473548
0.7941 Intermediate Similarity NPC475154
0.7941 Intermediate Similarity NPC471137
0.7937 Intermediate Similarity NPC7921
0.7937 Intermediate Similarity NPC208998
0.792 Intermediate Similarity NPC157476
0.792 Intermediate Similarity NPC201992
0.792 Intermediate Similarity NPC188738
0.791 Intermediate Similarity NPC476854
0.791 Intermediate Similarity NPC476851
0.7907 Intermediate Similarity NPC475775
0.7907 Intermediate Similarity NPC476529
0.7903 Intermediate Similarity NPC141350
0.7895 Intermediate Similarity NPC470882
0.7891 Intermediate Similarity NPC470171
0.7874 Intermediate Similarity NPC299849
0.7863 Intermediate Similarity NPC473231
0.7852 Intermediate Similarity NPC476863
0.7852 Intermediate Similarity NPC475606
0.7852 Intermediate Similarity NPC251564
0.7852 Intermediate Similarity NPC475389
0.7852 Intermediate Similarity NPC476855
0.7852 Intermediate Similarity NPC477189
0.7852 Intermediate Similarity NPC475314
0.7852 Intermediate Similarity NPC476852
0.7852 Intermediate Similarity NPC476862
0.7852 Intermediate Similarity NPC473838
0.784 Intermediate Similarity NPC210005
0.7836 Intermediate Similarity NPC475636
0.7836 Intermediate Similarity NPC295220
0.7829 Intermediate Similarity NPC21326
0.7829 Intermediate Similarity NPC284707
0.7826 Intermediate Similarity NPC68282
0.782 Intermediate Similarity NPC87662
0.7812 Intermediate Similarity NPC213084
0.7812 Intermediate Similarity NPC190185
0.7812 Intermediate Similarity NPC270478
0.7803 Intermediate Similarity NPC478066
0.7803 Intermediate Similarity NPC41129
0.7795 Intermediate Similarity NPC474271
0.7795 Intermediate Similarity NPC194273
0.7795 Intermediate Similarity NPC320118
0.7794 Intermediate Similarity NPC475139
0.7794 Intermediate Similarity NPC180902
0.7794 Intermediate Similarity NPC474508
0.7794 Intermediate Similarity NPC473485
0.7786 Intermediate Similarity NPC473250
0.7786 Intermediate Similarity NPC75417
0.7778 Intermediate Similarity NPC54614
0.7778 Intermediate Similarity NPC146945
0.7778 Intermediate Similarity NPC309096
0.7778 Intermediate Similarity NPC171888
0.7769 Intermediate Similarity NPC472933
0.7769 Intermediate Similarity NPC122971
0.7761 Intermediate Similarity NPC473265
0.7752 Intermediate Similarity NPC146432
0.7752 Intermediate Similarity NPC469684
0.7752 Intermediate Similarity NPC53396
0.7752 Intermediate Similarity NPC473968
0.7752 Intermediate Similarity NPC98249
0.7752 Intermediate Similarity NPC470778
0.7744 Intermediate Similarity NPC470477
0.7744 Intermediate Similarity NPC130229
0.7742 Intermediate Similarity NPC230541
0.7737 Intermediate Similarity NPC478151
0.7734 Intermediate Similarity NPC473898
0.7734 Intermediate Similarity NPC243354
0.7727 Intermediate Similarity NPC107966
0.7727 Intermediate Similarity NPC222688
0.7727 Intermediate Similarity NPC40775
0.7727 Intermediate Similarity NPC235438
0.7727 Intermediate Similarity NPC249848
0.7721 Intermediate Similarity NPC134914
0.7721 Intermediate Similarity NPC173435
0.7721 Intermediate Similarity NPC475167
0.7721 Intermediate Similarity NPC262796
0.7721 Intermediate Similarity NPC478065
0.7721 Intermediate Similarity NPC476074
0.7721 Intermediate Similarity NPC329993
0.7721 Intermediate Similarity NPC475377
0.7721 Intermediate Similarity NPC45346
0.7721 Intermediate Similarity NPC264566
0.7721 Intermediate Similarity NPC172374
0.7721 Intermediate Similarity NPC478064
0.7721 Intermediate Similarity NPC301639
0.7717 Intermediate Similarity NPC174836
0.7717 Intermediate Similarity NPC472002
0.771 Intermediate Similarity NPC472075
0.771 Intermediate Similarity NPC109973
0.771 Intermediate Similarity NPC478051
0.771 Intermediate Similarity NPC472076
0.771 Intermediate Similarity NPC317635
0.771 Intermediate Similarity NPC475003
0.771 Intermediate Similarity NPC329008
0.7704 Intermediate Similarity NPC476091
0.7704 Intermediate Similarity NPC476859
0.7704 Intermediate Similarity NPC476078
0.7698 Intermediate Similarity NPC46407

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC15215 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
0.7652 Intermediate Similarity NPD8517 Approved
0.7652 Intermediate Similarity NPD8515 Approved
0.7652 Intermediate Similarity NPD8513 Phase 3
0.7652 Intermediate Similarity NPD8516 Approved
0.7537 Intermediate Similarity NPD8328 Phase 3
0.7481 Intermediate Similarity NPD7492 Approved
0.7481 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD7736 Approved
0.7444 Intermediate Similarity NPD6054 Approved
0.7426 Intermediate Similarity NPD6616 Approved
0.7402 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD6015 Approved
0.7388 Intermediate Similarity NPD6016 Approved
0.7372 Intermediate Similarity NPD7078 Approved
0.7333 Intermediate Similarity NPD6370 Approved
0.7333 Intermediate Similarity NPD5988 Approved
0.7313 Intermediate Similarity NPD6319 Approved
0.7313 Intermediate Similarity NPD6059 Approved
0.7266 Intermediate Similarity NPD7319 Approved
0.7246 Intermediate Similarity NPD8293 Discontinued
0.7246 Intermediate Similarity NPD8074 Phase 3
0.7209 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD6009 Approved
0.705 Intermediate Similarity NPD7507 Approved
0.7045 Intermediate Similarity NPD6882 Approved
0.697 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6963 Remote Similarity NPD7115 Discovery
0.6917 Remote Similarity NPD8297 Approved
0.6911 Remote Similarity NPD5778 Approved
0.6911 Remote Similarity NPD5779 Approved
0.6884 Remote Similarity NPD6921 Approved
0.6866 Remote Similarity NPD4632 Approved
0.6842 Remote Similarity NPD6649 Approved
0.6842 Remote Similarity NPD6650 Approved
0.6831 Remote Similarity NPD6033 Approved
0.6829 Remote Similarity NPD6411 Approved
0.6818 Remote Similarity NPD6373 Approved
0.6818 Remote Similarity NPD6372 Approved
0.6806 Remote Similarity NPD7260 Phase 2
0.6794 Remote Similarity NPD5697 Approved
0.6742 Remote Similarity NPD6899 Approved
0.6742 Remote Similarity NPD6881 Approved
0.6742 Remote Similarity NPD6686 Approved
0.6742 Remote Similarity NPD7320 Approved
0.6739 Remote Similarity NPD7516 Approved
0.6718 Remote Similarity NPD5739 Approved
0.6718 Remote Similarity NPD6675 Approved
0.6718 Remote Similarity NPD6402 Approved
0.6718 Remote Similarity NPD7128 Approved
0.6694 Remote Similarity NPD7983 Approved
0.6692 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6692 Remote Similarity NPD6014 Approved
0.6692 Remote Similarity NPD6013 Approved
0.6692 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6101 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD7328 Approved
0.6667 Remote Similarity NPD7327 Approved
0.6667 Remote Similarity NPD6412 Phase 2
0.6644 Remote Similarity NPD6845 Suspended
0.6643 Remote Similarity NPD7503 Approved
0.6643 Remote Similarity NPD5983 Phase 2
0.6642 Remote Similarity NPD7102 Approved
0.6642 Remote Similarity NPD6883 Approved
0.6642 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6642 Remote Similarity NPD7290 Approved
0.6642 Remote Similarity NPD4634 Approved
0.6641 Remote Similarity NPD4225 Approved
0.6617 Remote Similarity NPD6011 Approved
0.6593 Remote Similarity NPD6617 Approved
0.6593 Remote Similarity NPD6847 Approved
0.6593 Remote Similarity NPD6869 Approved
0.6593 Remote Similarity NPD8130 Phase 1
0.6591 Remote Similarity NPD6008 Approved
0.6577 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6549 Remote Similarity NPD7604 Phase 2
0.6525 Remote Similarity NPD8335 Approved
0.6525 Remote Similarity NPD8378 Approved
0.6525 Remote Similarity NPD8380 Approved
0.6525 Remote Similarity NPD8033 Approved
0.6525 Remote Similarity NPD8379 Approved
0.6525 Remote Similarity NPD8296 Approved
0.6496 Remote Similarity NPD8133 Approved
0.6489 Remote Similarity NPD5211 Phase 2
0.6458 Remote Similarity NPD6336 Discontinued
0.6457 Remote Similarity NPD5282 Discontinued
0.6454 Remote Similarity NPD8377 Approved
0.6454 Remote Similarity NPD8294 Approved
0.6418 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6418 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6395 Remote Similarity NPD5956 Approved
0.6391 Remote Similarity NPD5141 Approved
0.6385 Remote Similarity NPD5696 Approved
0.6357 Remote Similarity NPD7839 Suspended
0.635 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6343 Remote Similarity NPD8407 Phase 2
0.6336 Remote Similarity NPD4696 Approved
0.6336 Remote Similarity NPD5286 Approved
0.6336 Remote Similarity NPD5285 Approved
0.6316 Remote Similarity NPD7799 Discontinued
0.6308 Remote Similarity NPD4755 Approved
0.6304 Remote Similarity NPD6053 Discontinued
0.6299 Remote Similarity NPD7637 Suspended
0.6294 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6288 Remote Similarity NPD1700 Approved
0.6286 Remote Similarity NPD6274 Approved
0.6279 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6279 Remote Similarity NPD5695 Phase 3
0.6277 Remote Similarity NPD6371 Approved
0.6276 Remote Similarity NPD8340 Approved
0.6276 Remote Similarity NPD8341 Approved
0.6276 Remote Similarity NPD8299 Approved
0.6276 Remote Similarity NPD8342 Approved
0.6268 Remote Similarity NPD7100 Approved
0.6268 Remote Similarity NPD7101 Approved
0.6264 Remote Similarity NPD8368 Discontinued
0.626 Remote Similarity NPD8029 Clinical (unspecified phase)
0.625 Remote Similarity NPD6399 Phase 3
0.6241 Remote Similarity NPD5226 Approved
0.6241 Remote Similarity NPD5224 Approved
0.6241 Remote Similarity NPD6317 Approved
0.6241 Remote Similarity NPD4633 Approved
0.6241 Remote Similarity NPD5225 Approved
0.6212 Remote Similarity NPD7639 Approved
0.6212 Remote Similarity NPD4700 Approved
0.6212 Remote Similarity NPD7640 Approved
0.6197 Remote Similarity NPD6335 Approved
0.6197 Remote Similarity NPD6314 Approved
0.6197 Remote Similarity NPD6313 Approved
0.6194 Remote Similarity NPD5174 Approved
0.6194 Remote Similarity NPD5175 Approved
0.6184 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6183 Remote Similarity NPD6083 Phase 2
0.6183 Remote Similarity NPD7902 Approved
0.6183 Remote Similarity NPD6084 Phase 2
0.6181 Remote Similarity NPD8444 Approved
0.6165 Remote Similarity NPD5223 Approved
0.6165 Remote Similarity NPD5344 Discontinued
0.6136 Remote Similarity NPD7638 Approved
0.6131 Remote Similarity NPD4730 Approved
0.6131 Remote Similarity NPD4729 Approved
0.6122 Remote Similarity NPD8451 Approved
0.6118 Remote Similarity NPD8415 Approved
0.6111 Remote Similarity NPD3573 Approved
0.6107 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6107 Remote Similarity NPD5222 Approved
0.6107 Remote Similarity NPD5221 Approved
0.6107 Remote Similarity NPD4697 Phase 3
0.6103 Remote Similarity NPD4767 Approved
0.6103 Remote Similarity NPD4768 Approved
0.6096 Remote Similarity NPD6067 Discontinued
0.6093 Remote Similarity NPD8338 Approved
0.609 Remote Similarity NPD6648 Approved
0.6089 Remote Similarity NPD8434 Phase 2
0.6081 Remote Similarity NPD8448 Approved
0.6077 Remote Similarity NPD7748 Approved
0.6069 Remote Similarity NPD6909 Approved
0.6069 Remote Similarity NPD6908 Approved
0.6067 Remote Similarity NPD8392 Approved
0.6067 Remote Similarity NPD8391 Approved
0.6067 Remote Similarity NPD8390 Approved
0.6061 Remote Similarity NPD5173 Approved
0.6056 Remote Similarity NPD6868 Approved
0.6047 Remote Similarity NPD7515 Phase 2
0.6047 Remote Similarity NPD5694 Approved
0.6047 Remote Similarity NPD5281 Approved
0.6047 Remote Similarity NPD5284 Approved
0.6043 Remote Similarity NPD5249 Phase 3
0.6043 Remote Similarity NPD5247 Approved
0.6043 Remote Similarity NPD5251 Approved
0.6043 Remote Similarity NPD5250 Approved
0.6043 Remote Similarity NPD5248 Approved
0.6034 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6031 Remote Similarity NPD5210 Approved
0.6031 Remote Similarity NPD4629 Approved
0.6029 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6022 Remote Similarity NPD8360 Approved
0.6022 Remote Similarity NPD8361 Approved
0.6022 Remote Similarity NPD8435 Approved
0.6 Remote Similarity NPD6333 Approved
0.6 Remote Similarity NPD6334 Approved
0.5984 Remote Similarity NPD7524 Approved
0.5969 Remote Similarity NPD6698 Approved
0.5969 Remote Similarity NPD46 Approved
0.5969 Remote Similarity NPD5207 Approved
0.5969 Remote Similarity NPD5692 Phase 3
0.5959 Remote Similarity NPD8266 Approved
0.5959 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5959 Remote Similarity NPD8267 Approved
0.5959 Remote Similarity NPD8268 Approved
0.5959 Remote Similarity NPD8269 Approved
0.5956 Remote Similarity NPD4754 Approved
0.5954 Remote Similarity NPD7900 Approved
0.5954 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5923 Remote Similarity NPD6079 Approved
0.5923 Remote Similarity NPD6050 Approved
0.5918 Remote Similarity NPD8080 Discontinued
0.5912 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5912 Remote Similarity NPD4056 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44577485
ChEMBL   CHEMBL502380
ZINC  

Physicochemical Properties

Molecular Weight:  526.18
ALogP:  -1.16
MLogP:  3.44
XLogP:  -0.483
# Rotatable Bonds:  5
Polar Surface Area:  145.66
# H-Bond Aceptor:  10
# H-Bond Donor:  2
# Rings:  8
# 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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