Natural Product: NPC168879

Natural Product ID:  NPC168879
Common Name:   Physalin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H30O10
Standard InCHIKey:  VELDODQHYQSJOF-RPKVKFPNSA-N
Standard InCHI:  InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1
Canonical SMILES:  O[C@@H]1C=C2CC=CC(=O)[C@@]2([C@@H]2[C@@H]1[C@@]1(O)O[C@]34[C@@H](C1=O)[C@]1(C)C[C@H]([C@]4(C)OC(=O)[C@]3(CC2)O)OC(=O)C1=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]
NPO2811 Calyx seu fructus physalis Species Phloeodictyidae Eukaryota TCMSP*
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota TM-MC*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TCMID*
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota TCMID*

  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 = 2570 nM 18348534
NPT453 Cell Line HT-1080 Homo sapiens Activity = 27.79 % 23647462
NPT453 Cell Line HT-1080 Homo sapiens Activity = 26.7 % 23647462
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 10700 nM 23647462
NPT2601 Individual Protein NF-kappaB inhibitor alpha Homo sapiens Inhibition = -3.4 % 24900739
NPT2601 Individual Protein NF-kappaB inhibitor alpha Homo sapiens IC50 > 50000 nM 24900739
NPT2 Others Unspecified IC50 = 22700 nM 24900739

  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 NPC168879 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
0.9754 High Similarity NPC102316
0.9291 High Similarity NPC243014
0.9274 High Similarity NPC264192
0.9134 High Similarity NPC242486
0.9134 High Similarity NPC15215
0.8976 High Similarity NPC254614
0.8976 High Similarity NPC100390
0.8952 High Similarity NPC476729
0.8952 High Similarity NPC470922
0.8952 High Similarity NPC24651
0.8943 High Similarity NPC312833
0.8871 High Similarity NPC91693
0.8871 High Similarity NPC18945
0.8871 High Similarity NPC265557
0.8871 High Similarity NPC67251
0.8871 High Similarity NPC105926
0.8828 High Similarity NPC254146
0.8828 High Similarity NPC33378
0.8828 High Similarity NPC6274
0.874 High Similarity NPC188291
0.873 High Similarity NPC181999
0.871 High Similarity NPC470779
0.8661 High Similarity NPC476008
0.8636 High Similarity NPC295885
0.8636 High Similarity NPC140045
0.8629 High Similarity NPC109607
0.8629 High Similarity NPC107338
0.8629 High Similarity NPC112038
0.8618 High Similarity NPC17772
0.8618 High Similarity NPC470776
0.8605 High Similarity NPC476852
0.8583 High Similarity NPC477745
0.8561 High Similarity NPC471089
0.8561 High Similarity NPC141215
0.8561 High Similarity NPC190065
0.8561 High Similarity NPC251998
0.8548 High Similarity NPC475775
0.8548 High Similarity NPC470777
0.8548 High Similarity NPC469488
0.8548 High Similarity NPC476529
0.8548 High Similarity NPC268958
0.8527 High Similarity NPC476851
0.8525 High Similarity NPC299849
0.8496 Intermediate Similarity NPC596
0.8485 Intermediate Similarity NPC262813
0.8468 Intermediate Similarity NPC297179
0.8468 Intermediate Similarity NPC251310
0.8468 Intermediate Similarity NPC188667
0.8468 Intermediate Similarity NPC204552
0.8462 Intermediate Similarity NPC476862
0.8462 Intermediate Similarity NPC476863
0.8455 Intermediate Similarity NPC213084
0.8455 Intermediate Similarity NPC190185
0.845 Intermediate Similarity NPC476859
0.8438 Intermediate Similarity NPC225049
0.8413 Intermediate Similarity NPC102822
0.8413 Intermediate Similarity NPC477046
0.8387 Intermediate Similarity NPC176513
0.8387 Intermediate Similarity NPC473590
0.8387 Intermediate Similarity NPC477116
0.8387 Intermediate Similarity NPC146432
0.8387 Intermediate Similarity NPC470775
0.8387 Intermediate Similarity NPC27999
0.8387 Intermediate Similarity NPC470778
0.8387 Intermediate Similarity NPC97908
0.8387 Intermediate Similarity NPC122033
0.8387 Intermediate Similarity NPC473968
0.8387 Intermediate Similarity NPC470854
0.8387 Intermediate Similarity NPC474654
0.8387 Intermediate Similarity NPC287343
0.8374 Intermediate Similarity NPC268238
0.8374 Intermediate Similarity NPC143268
0.8374 Intermediate Similarity NPC45218
0.8374 Intermediate Similarity NPC323821
0.8321 Intermediate Similarity NPC476855
0.8306 Intermediate Similarity NPC207217
0.8306 Intermediate Similarity NPC16081
0.8306 Intermediate Similarity NPC40632
0.8306 Intermediate Similarity NPC474734
0.8306 Intermediate Similarity NPC474046
0.8306 Intermediate Similarity NPC96312
0.8306 Intermediate Similarity NPC328374
0.8306 Intermediate Similarity NPC89929
0.8306 Intermediate Similarity NPC470628
0.8306 Intermediate Similarity NPC152199
0.8306 Intermediate Similarity NPC134869
0.8306 Intermediate Similarity NPC173686
0.8306 Intermediate Similarity NPC259306
0.8306 Intermediate Similarity NPC251236
0.8306 Intermediate Similarity NPC235539
0.8306 Intermediate Similarity NPC270478
0.8293 Intermediate Similarity NPC94509
0.8293 Intermediate Similarity NPC49451
0.8293 Intermediate Similarity NPC51978
0.8258 Intermediate Similarity NPC478154
0.8244 Intermediate Similarity NPC476854
0.824 Intermediate Similarity NPC469684
0.8231 Intermediate Similarity NPC470780
0.8231 Intermediate Similarity NPC470882
0.8226 Intermediate Similarity NPC469877
0.8226 Intermediate Similarity NPC18547
0.8226 Intermediate Similarity NPC473798
0.8226 Intermediate Similarity NPC474906
0.8226 Intermediate Similarity NPC470919
0.8226 Intermediate Similarity NPC117712
0.8211 Intermediate Similarity NPC11252
0.8211 Intermediate Similarity NPC302146
0.8211 Intermediate Similarity NPC289312
0.8197 Intermediate Similarity NPC5103
0.8195 Intermediate Similarity NPC478151
0.8182 Intermediate Similarity NPC478155
0.8182 Intermediate Similarity NPC25998
0.8168 Intermediate Similarity NPC473620
0.8168 Intermediate Similarity NPC475636
0.8168 Intermediate Similarity NPC295220
0.8154 Intermediate Similarity NPC293112
0.8145 Intermediate Similarity NPC7921
0.8145 Intermediate Similarity NPC208998
0.8145 Intermediate Similarity NPC320118
0.814 Intermediate Similarity NPC120724
0.813 Intermediate Similarity NPC201992
0.812 Intermediate Similarity NPC478152
0.812 Intermediate Similarity NPC471855
0.812 Intermediate Similarity NPC475139
0.812 Intermediate Similarity NPC180902
0.812 Intermediate Similarity NPC478150
0.812 Intermediate Similarity NPC478153
0.811 Intermediate Similarity NPC472933
0.8106 Intermediate Similarity NPC477196
0.8106 Intermediate Similarity NPC231529
0.8106 Intermediate Similarity NPC54614
0.8106 Intermediate Similarity NPC309096
0.8095 Intermediate Similarity NPC218970
0.8092 Intermediate Similarity NPC473265
0.8077 Intermediate Similarity NPC81736
0.8077 Intermediate Similarity NPC172154
0.8077 Intermediate Similarity NPC8369
0.8065 Intermediate Similarity NPC269530
0.8065 Intermediate Similarity NPC205534
0.8049 Intermediate Similarity NPC474567
0.8047 Intermediate Similarity NPC472004
0.8047 Intermediate Similarity NPC48692
0.8047 Intermediate Similarity NPC109973
0.8045 Intermediate Similarity NPC478065
0.8045 Intermediate Similarity NPC475167
0.8045 Intermediate Similarity NPC475377
0.8045 Intermediate Similarity NPC476074
0.8045 Intermediate Similarity NPC172374
0.8045 Intermediate Similarity NPC329993
0.8045 Intermediate Similarity NPC134914
0.8045 Intermediate Similarity NPC264566
0.8045 Intermediate Similarity NPC477197
0.8045 Intermediate Similarity NPC301639
0.8045 Intermediate Similarity NPC478064
0.8045 Intermediate Similarity NPC45346
0.8045 Intermediate Similarity NPC173435
0.8045 Intermediate Similarity NPC262796
0.8031 Intermediate Similarity NPC284707
0.8031 Intermediate Similarity NPC106644
0.803 Intermediate Similarity NPC477191
0.803 Intermediate Similarity NPC477192
0.803 Intermediate Similarity NPC477194
0.803 Intermediate Similarity NPC473888
0.803 Intermediate Similarity NPC477193
0.803 Intermediate Similarity NPC245094
0.8016 Intermediate Similarity NPC179626
0.8015 Intermediate Similarity NPC473635
0.8015 Intermediate Similarity NPC87662
0.8 Intermediate Similarity NPC469463
0.8 Intermediate Similarity NPC471137
0.8 Intermediate Similarity NPC182266
0.8 Intermediate Similarity NPC11895
0.8 Intermediate Similarity NPC223356
0.8 Intermediate Similarity NPC471234
0.8 Intermediate Similarity NPC473548
0.8 Intermediate Similarity NPC194273
0.8 Intermediate Similarity NPC469496
0.8 Intermediate Similarity NPC198539
0.8 Intermediate Similarity NPC100017
0.8 Intermediate Similarity NPC475154
0.8 Intermediate Similarity NPC469454
0.8 Intermediate Similarity NPC475500
0.8 Intermediate Similarity NPC227397
0.8 Intermediate Similarity NPC25909
0.8 Intermediate Similarity NPC469789
0.8 Intermediate Similarity NPC471136
0.7985 Intermediate Similarity NPC476776
0.7985 Intermediate Similarity NPC312650
0.7985 Intermediate Similarity NPC477195
0.7985 Intermediate Similarity NPC476193
0.7984 Intermediate Similarity NPC179798
0.7984 Intermediate Similarity NPC46570
0.7984 Intermediate Similarity NPC472000
0.7984 Intermediate Similarity NPC146945
0.7984 Intermediate Similarity NPC471999
0.7984 Intermediate Similarity NPC472001
0.7984 Intermediate Similarity NPC304180
0.7984 Intermediate Similarity NPC171888
0.797 Intermediate Similarity NPC477079
0.797 Intermediate Similarity NPC470518

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC168879 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
0.7803 Intermediate Similarity NPD7492 Approved
0.7769 Intermediate Similarity NPD6319 Approved
0.7769 Intermediate Similarity NPD6054 Approved
0.7761 Intermediate Similarity NPD7736 Approved
0.7744 Intermediate Similarity NPD6616 Approved
0.7742 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD8328 Phase 3
0.771 Intermediate Similarity NPD6015 Approved
0.771 Intermediate Similarity NPD6016 Approved
0.7704 Intermediate Similarity NPD7319 Approved
0.7687 Intermediate Similarity NPD7078 Approved
0.7652 Intermediate Similarity NPD5988 Approved
0.7652 Intermediate Similarity NPD6370 Approved
0.7538 Intermediate Similarity NPD7115 Discovery
0.75 Intermediate Similarity NPD6059 Approved
0.7481 Intermediate Similarity NPD7507 Approved
0.7444 Intermediate Similarity NPD8516 Approved
0.7444 Intermediate Similarity NPD8515 Approved
0.7444 Intermediate Similarity NPD8513 Phase 3
0.7444 Intermediate Similarity NPD8517 Approved
0.7426 Intermediate Similarity NPD8293 Discontinued
0.7405 Intermediate Similarity NPD6009 Approved
0.7364 Intermediate Similarity NPD6882 Approved
0.7364 Intermediate Similarity NPD8297 Approved
0.7323 Intermediate Similarity NPD6686 Approved
0.7308 Intermediate Similarity NPD4632 Approved
0.7287 Intermediate Similarity NPD6649 Approved
0.7287 Intermediate Similarity NPD6650 Approved
0.7273 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD5697 Approved
0.7236 Intermediate Similarity NPD4225 Approved
0.7209 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6881 Approved
0.7188 Intermediate Similarity NPD6899 Approved
0.7185 Intermediate Similarity NPD6921 Approved
0.7164 Intermediate Similarity NPD7516 Approved
0.7132 Intermediate Similarity NPD6373 Approved
0.7132 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD6372 Approved
0.7132 Intermediate Similarity NPD6013 Approved
0.7132 Intermediate Similarity NPD6014 Approved
0.7132 Intermediate Similarity NPD6012 Approved
0.7092 Intermediate Similarity NPD7260 Phase 2
0.709 Intermediate Similarity NPD7327 Approved
0.709 Intermediate Similarity NPD7328 Approved
0.7077 Intermediate Similarity NPD4634 Approved
0.7077 Intermediate Similarity NPD7290 Approved
0.7077 Intermediate Similarity NPD6883 Approved
0.7077 Intermediate Similarity NPD7102 Approved
0.7059 Intermediate Similarity NPD5983 Phase 2
0.7054 Intermediate Similarity NPD6011 Approved
0.7054 Intermediate Similarity NPD7320 Approved
0.705 Intermediate Similarity NPD8074 Phase 3
0.7031 Intermediate Similarity NPD5739 Approved
0.7031 Intermediate Similarity NPD6402 Approved
0.7031 Intermediate Similarity NPD7128 Approved
0.7031 Intermediate Similarity NPD6675 Approved
0.7023 Intermediate Similarity NPD6847 Approved
0.7023 Intermediate Similarity NPD6617 Approved
0.7023 Intermediate Similarity NPD6869 Approved
0.7023 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD8130 Phase 1
0.7 Intermediate Similarity NPD6033 Approved
0.6977 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6977 Remote Similarity NPD5701 Approved
0.6957 Remote Similarity NPD7604 Phase 2
0.6934 Remote Similarity NPD8296 Approved
0.6934 Remote Similarity NPD8335 Approved
0.6934 Remote Similarity NPD8379 Approved
0.6934 Remote Similarity NPD8378 Approved
0.6934 Remote Similarity NPD8380 Approved
0.6934 Remote Similarity NPD7503 Approved
0.6929 Remote Similarity NPD5211 Phase 2
0.6923 Remote Similarity NPD6845 Suspended
0.6861 Remote Similarity NPD8377 Approved
0.6861 Remote Similarity NPD8294 Approved
0.6857 Remote Similarity NPD6336 Discontinued
0.6849 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6846 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6412 Phase 2
0.6822 Remote Similarity NPD5141 Approved
0.6812 Remote Similarity NPD8033 Approved
0.6772 Remote Similarity NPD7639 Approved
0.6772 Remote Similarity NPD4696 Approved
0.6772 Remote Similarity NPD7640 Approved
0.6772 Remote Similarity NPD5286 Approved
0.6772 Remote Similarity NPD5285 Approved
0.6769 Remote Similarity NPD6008 Approved
0.672 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6719 Remote Similarity NPD5344 Discontinued
0.6693 Remote Similarity NPD5696 Approved
0.6693 Remote Similarity NPD7638 Approved
0.6692 Remote Similarity NPD6371 Approved
0.6691 Remote Similarity NPD6274 Approved
0.6691 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7100 Approved
0.6667 Remote Similarity NPD5225 Approved
0.6667 Remote Similarity NPD4633 Approved
0.6667 Remote Similarity NPD5956 Approved
0.6667 Remote Similarity NPD5226 Approved
0.6667 Remote Similarity NPD5224 Approved
0.6667 Remote Similarity NPD7101 Approved
0.6667 Remote Similarity NPD8133 Approved
0.6642 Remote Similarity NPD6317 Approved
0.6642 Remote Similarity NPD6401 Clinical (unspecified phase)
0.664 Remote Similarity NPD5282 Discontinued
0.6615 Remote Similarity NPD5174 Approved
0.6615 Remote Similarity NPD5175 Approved
0.6614 Remote Similarity NPD4755 Approved
0.6594 Remote Similarity NPD6314 Approved
0.6594 Remote Similarity NPD6335 Approved
0.6594 Remote Similarity NPD6313 Approved
0.6589 Remote Similarity NPD5223 Approved
0.6587 Remote Similarity NPD5695 Phase 3
0.656 Remote Similarity NPD5779 Approved
0.656 Remote Similarity NPD5778 Approved
0.6557 Remote Similarity NPD3573 Approved
0.6541 Remote Similarity NPD4730 Approved
0.6541 Remote Similarity NPD4729 Approved
0.6535 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5222 Approved
0.6535 Remote Similarity NPD5221 Approved
0.6529 Remote Similarity NPD1694 Approved
0.6512 Remote Similarity NPD4700 Approved
0.6484 Remote Similarity NPD5173 Approved
0.6484 Remote Similarity NPD6084 Phase 2
0.6484 Remote Similarity NPD6083 Phase 2
0.6484 Remote Similarity NPD7902 Approved
0.648 Remote Similarity NPD6411 Approved
0.6474 Remote Similarity NPD8407 Phase 2
0.6471 Remote Similarity NPD6053 Discontinued
0.6457 Remote Similarity NPD5210 Approved
0.6457 Remote Similarity NPD4629 Approved
0.645 Remote Similarity NPD7799 Discontinued
0.6449 Remote Similarity NPD6868 Approved
0.6444 Remote Similarity NPD5251 Approved
0.6444 Remote Similarity NPD5249 Phase 3
0.6444 Remote Similarity NPD5250 Approved
0.6444 Remote Similarity NPD5248 Approved
0.6444 Remote Similarity NPD5247 Approved
0.6443 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6434 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6406 Remote Similarity NPD4697 Phase 3
0.64 Remote Similarity NPD46 Approved
0.64 Remote Similarity NPD6698 Approved
0.6395 Remote Similarity NPD8368 Discontinued
0.6391 Remote Similarity NPD4768 Approved
0.6391 Remote Similarity NPD4767 Approved
0.6385 Remote Similarity NPD6648 Approved
0.6378 Remote Similarity NPD7748 Approved
0.6376 Remote Similarity NPD8415 Approved
0.6358 Remote Similarity NPD6333 Approved
0.6358 Remote Similarity NPD6334 Approved
0.6351 Remote Similarity NPD8338 Approved
0.6349 Remote Similarity NPD6079 Approved
0.6349 Remote Similarity NPD7983 Approved
0.6349 Remote Similarity NPD7515 Phase 2
0.6338 Remote Similarity NPD6909 Approved
0.6338 Remote Similarity NPD6908 Approved
0.6336 Remote Similarity NPD1700 Approved
0.632 Remote Similarity NPD6101 Approved
0.632 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6307 Remote Similarity NPD8434 Phase 2
0.6296 Remote Similarity NPD5128 Approved
0.6288 Remote Similarity NPD7632 Discontinued
0.6277 Remote Similarity NPD5217 Approved
0.6277 Remote Similarity NPD5215 Approved
0.6277 Remote Similarity NPD5216 Approved
0.625 Remote Similarity NPD7900 Approved
0.625 Remote Similarity NPD6067 Discontinued
0.625 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6241 Remote Similarity NPD4754 Approved
0.6236 Remote Similarity NPD8360 Approved
0.6236 Remote Similarity NPD8361 Approved
0.6236 Remote Similarity NPD8435 Approved
0.622 Remote Similarity NPD5693 Phase 1
0.621 Remote Similarity NPD3618 Phase 1
0.6204 Remote Similarity NPD5135 Approved
0.6204 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6204 Remote Similarity NPD5169 Approved
0.619 Remote Similarity NPD5328 Approved
0.6172 Remote Similarity NPD6399 Phase 3
0.6159 Remote Similarity NPD5127 Approved
0.6142 Remote Similarity NPD5785 Approved
0.6138 Remote Similarity NPD7642 Approved
0.6111 Remote Similarity NPD6672 Approved
0.6111 Remote Similarity NPD5737 Approved
0.6094 Remote Similarity NPD5284 Approved
0.6094 Remote Similarity NPD5281 Approved
0.6094 Remote Similarity NPD5694 Approved
0.6084 Remote Similarity NPD4522 Approved
0.6081 Remote Similarity NPD8336 Approved
0.6081 Remote Similarity NPD8337 Approved
0.608 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6077 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6067 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6063 Remote Similarity NPD4753 Phase 2
0.6062 Remote Similarity NPD7236 Approved
0.6058 Remote Similarity NPD5168 Approved

Structure

External Identifiers

PubChem CID   44577487
ChEMBL   CHEMBL504741
ZINC  

Physicochemical Properties

Molecular Weight:  526.18
ALogP:  -0.6415
MLogP:  3.44
XLogP:  -0.123
# Rotatable Bonds:  6
Polar Surface Area:  156.66
# H-Bond Aceptor:  10
# H-Bond Donor:  3
# Rings:  7
# Heavy Atoms:  38

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