Natural Product: NPC270929

Natural Product ID:  NPC270929
Common Name:   n.a.
IUPAC Name:  
Synonyms:   24,25-Dihydrowithanolide D
Molecular Formula:   C28H40O6
Standard InCHIKey:  OGABYGZTMRAASL-UWCCFGPMSA-N
Standard InCHI:  InChI=1S/C28H40O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,14-19,21-23,30,32H,6-7,10-13H2,1-5H3/t14-,15+,16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
Canonical SMILES:  C[C@@H]1[C@@H](C)C[C@@H](OC1=O)[C@@]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)C(=O)C=C[C@@H]3O)O2)(O)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
NPO13655 Physalis philadelphica Species Solanaceae Eukaryota PMID[12027740]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio = 1.4 PubChem BioAssay data set
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 0.7 nM 25769817
NPT2 Others Unspecified Ratio = 7.8 15566301

  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 NPC270929 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
0.9815 High Similarity NPC329736
0.9725 High Similarity NPC61520
0.9364 High Similarity NPC140055
0.9364 High Similarity NPC167606
0.9364 High Similarity NPC286528
0.9364 High Similarity NPC20302
0.9279 High Similarity NPC50774
0.9279 High Similarity NPC709
0.9211 High Similarity NPC469789
0.9196 High Similarity NPC264954
0.9189 High Similarity NPC470492
0.9189 High Similarity NPC312824
0.9189 High Similarity NPC183580
0.9189 High Similarity NPC470493
0.9138 High Similarity NPC473253
0.913 High Similarity NPC8369
0.9115 High Similarity NPC474370
0.9091 High Similarity NPC122056
0.9052 High Similarity NPC293112
0.9043 High Similarity NPC11895
0.9035 High Similarity NPC67569
0.9018 High Similarity NPC470959
0.9018 High Similarity NPC476965
0.9009 High Similarity NPC67259
0.9009 High Similarity NPC147912
0.8983 High Similarity NPC470880
0.8966 High Similarity NPC172154
0.8966 High Similarity NPC81736
0.8957 High Similarity NPC23786
0.8957 High Similarity NPC170538
0.8957 High Similarity NPC153700
0.8957 High Similarity NPC88326
0.8957 High Similarity NPC470265
0.886 High Similarity NPC473274
0.886 High Similarity NPC476960
0.886 High Similarity NPC473203
0.8839 High Similarity NPC284915
0.8814 High Similarity NPC470882
0.8814 High Similarity NPC473265
0.8803 High Similarity NPC3381
0.8803 High Similarity NPC470494
0.8803 High Similarity NPC8374
0.8783 High Similarity NPC476961
0.8772 High Similarity NPC473720
0.8772 High Similarity NPC186525
0.8739 High Similarity NPC470960
0.8739 High Similarity NPC473620
0.8729 High Similarity NPC473635
0.8727 High Similarity NPC41405
0.8707 High Similarity NPC470878
0.8707 High Similarity NPC473256
0.8684 High Similarity NPC471854
0.8684 High Similarity NPC243065
0.8655 High Similarity NPC287423
0.8649 High Similarity NPC37116
0.8621 High Similarity NPC476962
0.8571 High Similarity NPC474315
0.8559 High Similarity NPC474901
0.8559 High Similarity NPC475941
0.8559 High Similarity NPC120724
0.8559 High Similarity NPC204812
0.8547 High Similarity NPC46570
0.8545 High Similarity NPC473284
0.8534 High Similarity NPC475520
0.8525 High Similarity NPC231240
0.8519 High Similarity NPC136289
0.8512 High Similarity NPC473593
0.8496 Intermediate Similarity NPC191620
0.8496 Intermediate Similarity NPC475970
0.8487 Intermediate Similarity NPC473255
0.8487 Intermediate Similarity NPC32868
0.8487 Intermediate Similarity NPC241456
0.8482 Intermediate Similarity NPC29133
0.8475 Intermediate Similarity NPC269642
0.8475 Intermediate Similarity NPC107493
0.8462 Intermediate Similarity NPC154491
0.8462 Intermediate Similarity NPC268530
0.8455 Intermediate Similarity NPC316915
0.8448 Intermediate Similarity NPC257457
0.8448 Intermediate Similarity NPC311554
0.844 Intermediate Similarity NPC264048
0.844 Intermediate Similarity NPC475050
0.8435 Intermediate Similarity NPC64318
0.8426 Intermediate Similarity NPC81530
0.8426 Intermediate Similarity NPC476240
0.8426 Intermediate Similarity NPC476223
0.8426 Intermediate Similarity NPC476897
0.8426 Intermediate Similarity NPC224720
0.8421 Intermediate Similarity NPC317210
0.8421 Intermediate Similarity NPC250109
0.8421 Intermediate Similarity NPC255017
0.8407 Intermediate Similarity NPC474229
0.8407 Intermediate Similarity NPC470961
0.8393 Intermediate Similarity NPC214644
0.8393 Intermediate Similarity NPC475065
0.839 Intermediate Similarity NPC159456
0.839 Intermediate Similarity NPC4021
0.8378 Intermediate Similarity NPC9457
0.8378 Intermediate Similarity NPC471783
0.8378 Intermediate Similarity NPC330011
0.8378 Intermediate Similarity NPC329048
0.8378 Intermediate Similarity NPC91034
0.8376 Intermediate Similarity NPC473270
0.8376 Intermediate Similarity NPC42673
0.8376 Intermediate Similarity NPC475041
0.8364 Intermediate Similarity NPC149124
0.8364 Intermediate Similarity NPC75531
0.8361 Intermediate Similarity NPC231529
0.8348 Intermediate Similarity NPC470953
0.8348 Intermediate Similarity NPC243354
0.8347 Intermediate Similarity NPC305496
0.8333 Intermediate Similarity NPC476274
0.8333 Intermediate Similarity NPC476163
0.8333 Intermediate Similarity NPC269530
0.8319 Intermediate Similarity NPC5284
0.8319 Intermediate Similarity NPC239097
0.8319 Intermediate Similarity NPC473627
0.8319 Intermediate Similarity NPC76084
0.8305 Intermediate Similarity NPC251226
0.8304 Intermediate Similarity NPC475418
0.8304 Intermediate Similarity NPC318363
0.8304 Intermediate Similarity NPC473482
0.8291 Intermediate Similarity NPC251310
0.8279 Intermediate Similarity NPC473888
0.8273 Intermediate Similarity NPC72151
0.8261 Intermediate Similarity NPC962
0.8261 Intermediate Similarity NPC194273
0.8257 Intermediate Similarity NPC282524
0.825 Intermediate Similarity NPC473979
0.8246 Intermediate Similarity NPC471243
0.8241 Intermediate Similarity NPC478056
0.8235 Intermediate Similarity NPC202051
0.823 Intermediate Similarity NPC87335
0.822 Intermediate Similarity NPC472933
0.822 Intermediate Similarity NPC230513
0.8214 Intermediate Similarity NPC473165
0.8214 Intermediate Similarity NPC144459
0.8214 Intermediate Similarity NPC472925
0.8214 Intermediate Similarity NPC475294
0.8211 Intermediate Similarity NPC476966
0.8205 Intermediate Similarity NPC239273
0.8205 Intermediate Similarity NPC472934
0.8205 Intermediate Similarity NPC55296
0.8205 Intermediate Similarity NPC284068
0.8205 Intermediate Similarity NPC469684
0.8205 Intermediate Similarity NPC218970
0.8205 Intermediate Similarity NPC476959
0.8198 Intermediate Similarity NPC201763
0.8198 Intermediate Similarity NPC471293
0.8198 Intermediate Similarity NPC255309
0.8197 Intermediate Similarity NPC42399
0.8197 Intermediate Similarity NPC156797
0.819 Intermediate Similarity NPC238667
0.819 Intermediate Similarity NPC474181
0.8182 Intermediate Similarity NPC470922
0.8182 Intermediate Similarity NPC473424
0.8182 Intermediate Similarity NPC477915
0.8182 Intermediate Similarity NPC320447
0.8174 Intermediate Similarity NPC205534
0.8174 Intermediate Similarity NPC100267
0.8174 Intermediate Similarity NPC475524
0.8174 Intermediate Similarity NPC236217
0.8174 Intermediate Similarity NPC152117
0.8174 Intermediate Similarity NPC234042
0.8174 Intermediate Similarity NPC69291
0.8174 Intermediate Similarity NPC207251
0.8165 Intermediate Similarity NPC316964
0.8165 Intermediate Similarity NPC112167
0.8165 Intermediate Similarity NPC477521
0.8151 Intermediate Similarity NPC79579
0.8148 Intermediate Similarity NPC170131
0.8142 Intermediate Similarity NPC472218
0.8142 Intermediate Similarity NPC177064
0.8142 Intermediate Similarity NPC472217
0.8142 Intermediate Similarity NPC472219
0.8136 Intermediate Similarity NPC153440
0.813 Intermediate Similarity NPC245094
0.813 Intermediate Similarity NPC311534
0.8125 Intermediate Similarity NPC470587
0.8125 Intermediate Similarity NPC323834
0.8125 Intermediate Similarity NPC149047
0.8125 Intermediate Similarity NPC96377
0.8125 Intermediate Similarity NPC60681
0.812 Intermediate Similarity NPC176840
0.812 Intermediate Similarity NPC298278
0.812 Intermediate Similarity NPC148458
0.812 Intermediate Similarity NPC476963
0.812 Intermediate Similarity NPC49492
0.812 Intermediate Similarity NPC190286
0.812 Intermediate Similarity NPC266728
0.8115 Intermediate Similarity NPC203702
0.8115 Intermediate Similarity NPC120994
0.8108 Intermediate Similarity NPC311612
0.8108 Intermediate Similarity NPC90177
0.8108 Intermediate Similarity NPC95899
0.8108 Intermediate Similarity NPC26478
0.8108 Intermediate Similarity NPC478057
0.8108 Intermediate Similarity NPC239716
0.8103 Intermediate Similarity NPC194100
0.8103 Intermediate Similarity NPC472926

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC270929 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
0.9364 High Similarity NPD7115 Discovery
0.8174 Intermediate Similarity NPD8297 Approved
0.8142 Intermediate Similarity NPD6899 Approved
0.8142 Intermediate Similarity NPD6881 Approved
0.8087 Intermediate Similarity NPD6649 Approved
0.8087 Intermediate Similarity NPD6650 Approved
0.8053 Intermediate Similarity NPD5697 Approved
0.8 Intermediate Similarity NPD7102 Approved
0.8 Intermediate Similarity NPD7290 Approved
0.8 Intermediate Similarity NPD6319 Approved
0.8 Intermediate Similarity NPD6883 Approved
0.7965 Intermediate Similarity NPD6402 Approved
0.7965 Intermediate Similarity NPD7128 Approved
0.7965 Intermediate Similarity NPD5739 Approved
0.7965 Intermediate Similarity NPD6675 Approved
0.7931 Intermediate Similarity NPD6847 Approved
0.7931 Intermediate Similarity NPD6617 Approved
0.7931 Intermediate Similarity NPD6869 Approved
0.7931 Intermediate Similarity NPD8130 Phase 1
0.7913 Intermediate Similarity NPD6014 Approved
0.7913 Intermediate Similarity NPD6372 Approved
0.7913 Intermediate Similarity NPD6012 Approved
0.7913 Intermediate Similarity NPD6013 Approved
0.7913 Intermediate Similarity NPD6373 Approved
0.7909 Intermediate Similarity NPD4225 Approved
0.7863 Intermediate Similarity NPD6882 Approved
0.7857 Intermediate Similarity NPD5211 Phase 2
0.785 Intermediate Similarity NPD6079 Approved
0.7826 Intermediate Similarity NPD6011 Approved
0.7826 Intermediate Similarity NPD7320 Approved
0.7797 Intermediate Similarity NPD4632 Approved
0.7742 Intermediate Similarity NPD7492 Approved
0.7739 Intermediate Similarity NPD5701 Approved
0.7719 Intermediate Similarity NPD5141 Approved
0.7705 Intermediate Similarity NPD6054 Approved
0.7698 Intermediate Similarity NPD7736 Approved
0.7692 Intermediate Similarity NPD4634 Approved
0.768 Intermediate Similarity NPD6616 Approved
0.7679 Intermediate Similarity NPD5286 Approved
0.7679 Intermediate Similarity NPD4696 Approved
0.7679 Intermediate Similarity NPD5285 Approved
0.7664 Intermediate Similarity NPD5328 Approved
0.7652 Intermediate Similarity NPD6008 Approved
0.7638 Intermediate Similarity NPD7319 Approved
0.7619 Intermediate Similarity NPD7078 Approved
0.7615 Intermediate Similarity NPD6399 Phase 3
0.7581 Intermediate Similarity NPD6370 Approved
0.7568 Intermediate Similarity NPD5221 Approved
0.7568 Intermediate Similarity NPD5222 Approved
0.7568 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD4633 Approved
0.7544 Intermediate Similarity NPD5226 Approved
0.7544 Intermediate Similarity NPD5224 Approved
0.7544 Intermediate Similarity NPD5225 Approved
0.754 Intermediate Similarity NPD7507 Approved
0.7521 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD7604 Phase 2
0.75 Intermediate Similarity NPD6083 Phase 2
0.75 Intermediate Similarity NPD6016 Approved
0.75 Intermediate Similarity NPD5173 Approved
0.75 Intermediate Similarity NPD6084 Phase 2
0.75 Intermediate Similarity NPD4755 Approved
0.75 Intermediate Similarity NPD6015 Approved
0.748 Intermediate Similarity NPD7101 Approved
0.748 Intermediate Similarity NPD7100 Approved
0.7479 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD5174 Approved
0.7478 Intermediate Similarity NPD5175 Approved
0.7477 Intermediate Similarity NPD3573 Approved
0.7459 Intermediate Similarity NPD6009 Approved
0.7456 Intermediate Similarity NPD5223 Approved
0.744 Intermediate Similarity NPD5988 Approved
0.7419 Intermediate Similarity NPD6059 Approved
0.7411 Intermediate Similarity NPD4697 Phase 3
0.7398 Intermediate Similarity NPD6335 Approved
0.7387 Intermediate Similarity NPD7748 Approved
0.7383 Intermediate Similarity NPD3618 Phase 1
0.7381 Intermediate Similarity NPD8328 Phase 3
0.7377 Intermediate Similarity NPD6868 Approved
0.7377 Intermediate Similarity NPD6274 Approved
0.7368 Intermediate Similarity NPD4700 Approved
0.7368 Intermediate Similarity NPD7640 Approved
0.7368 Intermediate Similarity NPD7639 Approved
0.7364 Intermediate Similarity NPD6411 Approved
0.7364 Intermediate Similarity NPD7515 Phase 2
0.736 Intermediate Similarity NPD5983 Phase 2
0.7345 Intermediate Similarity NPD7902 Approved
0.7344 Intermediate Similarity NPD8293 Discontinued
0.7321 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD6317 Approved
0.7311 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD6412 Phase 2
0.7281 Intermediate Similarity NPD7638 Approved
0.7281 Intermediate Similarity NPD5696 Approved
0.7273 Intermediate Similarity NPD5785 Approved
0.7266 Intermediate Similarity NPD6336 Discontinued
0.7258 Intermediate Similarity NPD6313 Approved
0.7258 Intermediate Similarity NPD6314 Approved
0.7227 Intermediate Similarity NPD4730 Approved
0.7227 Intermediate Similarity NPD4729 Approved
0.7222 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD4786 Approved
0.7182 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD6101 Approved
0.7168 Intermediate Similarity NPD4629 Approved
0.7168 Intermediate Similarity NPD5695 Phase 3
0.7168 Intermediate Similarity NPD5210 Approved
0.7143 Intermediate Similarity NPD5779 Approved
0.7143 Intermediate Similarity NPD4202 Approved
0.7143 Intermediate Similarity NPD5778 Approved
0.713 Intermediate Similarity NPD5363 Approved
0.7107 Intermediate Similarity NPD5251 Approved
0.7107 Intermediate Similarity NPD5247 Approved
0.7107 Intermediate Similarity NPD5248 Approved
0.7107 Intermediate Similarity NPD5249 Phase 3
0.7107 Intermediate Similarity NPD5250 Approved
0.7107 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD6371 Approved
0.7091 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5737 Approved
0.7091 Intermediate Similarity NPD6672 Approved
0.7087 Intermediate Similarity NPD8517 Approved
0.7087 Intermediate Similarity NPD6909 Approved
0.7087 Intermediate Similarity NPD7503 Approved
0.7087 Intermediate Similarity NPD6908 Approved
0.7087 Intermediate Similarity NPD8516 Approved
0.7087 Intermediate Similarity NPD8515 Approved
0.7087 Intermediate Similarity NPD8513 Phase 3
0.7083 Intermediate Similarity NPD5128 Approved
0.7083 Intermediate Similarity NPD6686 Approved
0.708 Intermediate Similarity NPD7900 Approved
0.708 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD6684 Approved
0.7064 Intermediate Similarity NPD7521 Approved
0.7064 Intermediate Similarity NPD7334 Approved
0.7064 Intermediate Similarity NPD6409 Approved
0.7064 Intermediate Similarity NPD5330 Approved
0.7064 Intermediate Similarity NPD5786 Approved
0.7064 Intermediate Similarity NPD7146 Approved
0.7059 Intermediate Similarity NPD4767 Approved
0.7059 Intermediate Similarity NPD4768 Approved
0.7054 Intermediate Similarity NPD8035 Phase 2
0.7054 Intermediate Similarity NPD7637 Suspended
0.7054 Intermediate Similarity NPD8034 Phase 2
0.7049 Intermediate Similarity NPD5216 Approved
0.7049 Intermediate Similarity NPD5215 Approved
0.7049 Intermediate Similarity NPD5217 Approved
0.704 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD4754 Approved
0.7027 Intermediate Similarity NPD4753 Phase 2
0.7009 Intermediate Similarity NPD3667 Approved
0.6984 Remote Similarity NPD7327 Approved
0.6984 Remote Similarity NPD7328 Approved
0.6972 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6967 Remote Similarity NPD5135 Approved
0.6967 Remote Similarity NPD5169 Approved
0.6967 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6953 Remote Similarity NPD8033 Approved
0.6942 Remote Similarity NPD5168 Approved
0.6937 Remote Similarity NPD6903 Approved
0.693 Remote Similarity NPD6001 Approved
0.6929 Remote Similarity NPD7516 Approved
0.6911 Remote Similarity NPD5127 Approved
0.6903 Remote Similarity NPD5284 Approved
0.6903 Remote Similarity NPD5281 Approved
0.6894 Remote Similarity NPD6033 Approved
0.6885 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6881 Remote Similarity NPD3665 Phase 1
0.6881 Remote Similarity NPD3133 Approved
0.6881 Remote Similarity NPD3666 Approved
0.6875 Remote Similarity NPD6904 Approved
0.6875 Remote Similarity NPD6673 Approved
0.6875 Remote Similarity NPD6080 Approved
0.6875 Remote Similarity NPD8294 Approved
0.6875 Remote Similarity NPD8377 Approved
0.687 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6864 Remote Similarity NPD5344 Discontinued
0.686 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6855 Remote Similarity NPD6053 Discontinued
0.6852 Remote Similarity NPD4270 Approved
0.6852 Remote Similarity NPD4269 Approved
0.6822 Remote Similarity NPD8335 Approved
0.6822 Remote Similarity NPD8380 Approved
0.6822 Remote Similarity NPD8378 Approved
0.6822 Remote Similarity NPD8379 Approved
0.6822 Remote Similarity NPD8296 Approved
0.6822 Remote Similarity NPD6921 Approved
0.6818 Remote Similarity NPD1694 Approved
0.6807 Remote Similarity NPD7632 Discontinued
0.6792 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6759 Remote Similarity NPD5369 Approved
0.6754 Remote Similarity NPD5693 Phase 1
0.6746 Remote Similarity NPD5167 Approved
0.6741 Remote Similarity NPD7260 Phase 2
0.6697 Remote Similarity NPD4223 Phase 3
0.6697 Remote Similarity NPD4221 Approved
0.6692 Remote Similarity NPD8074 Phase 3
0.6667 Remote Similarity NPD6698 Approved
0.6667 Remote Similarity NPD46 Approved

Structure

External Identifiers

PubChem CID   23266167
ChEMBL   CHEMBL517790
ZINC  

Physicochemical Properties

Molecular Weight:  472.28
ALogP:  0.554
MLogP:  3.88
XLogP:  3.932
# Rotatable Bonds:  9
Polar Surface Area:  96.36
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  34

Download Data

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