Natural Product: NPC475520

Natural Product ID:  NPC475520
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H36O8
Standard InCHIKey:  IEABCZXUVAYIAD-OAZABPQTSA-N
Standard InCHI:  InChI=1S/C30H36O8/c1-14-12-23(36-25(33)15(14)2)28(5)20-7-6-19-17-13-24-30(37-24)22(35-16(3)31)9-8-21(32)27(30,4)18(17)10-11-29(19,20)26(34)38-28/h8-9,17-20,22-24H,6-7,10-13H2,1-5H3/t17-,18+,19+,20-,22+,23-,24-,27+,28-,29-,30-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C=CC(=O)[C@]2([C@]31O[C@@H]3C[C@@H]1[C@@H]2CC[C@]23[C@H]1CC[C@@H]3[C@](OC2=O)(C)[C@H]1CC(=C(C(=O)O1)C)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
NPO1978 Dunalia brachyacantha Species Solanaceae Eukaryota PMID[12027740]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD < 0.29 nM 26225905
NPT2 Others Unspecified Ratio > 2 24592914
NPT2 Others Unspecified Ratio > 2 19425589

  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 NPC475520 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
0.9727 High Similarity NPC473720
0.9391 High Similarity NPC8369
0.9217 High Similarity NPC170538
0.9145 High Similarity NPC473635
0.9138 High Similarity NPC469789
0.9138 High Similarity NPC11895
0.9052 High Similarity NPC23786
0.9052 High Similarity NPC470265
0.8992 High Similarity NPC473620
0.8983 High Similarity NPC293112
0.8966 High Similarity NPC67569
0.8908 High Similarity NPC287423
0.8898 High Similarity NPC81736
0.8898 High Similarity NPC172154
0.8839 High Similarity NPC470960
0.8814 High Similarity NPC204812
0.8814 High Similarity NPC120724
0.8803 High Similarity NPC204731
0.8793 High Similarity NPC42673
0.8793 High Similarity NPC476960
0.8783 High Similarity NPC286528
0.8783 High Similarity NPC20302
0.8783 High Similarity NPC140055
0.8783 High Similarity NPC167606
0.876 High Similarity NPC473593
0.875 High Similarity NPC253906
0.875 High Similarity NPC42399
0.8739 High Similarity NPC241456
0.8739 High Similarity NPC32868
0.8707 High Similarity NPC470420
0.8707 High Similarity NPC709
0.8707 High Similarity NPC50774
0.8684 High Similarity NPC122056
0.8661 High Similarity NPC469370
0.8632 High Similarity NPC264954
0.8621 High Similarity NPC312824
0.8621 High Similarity NPC470493
0.8621 High Similarity NPC183580
0.8621 High Similarity NPC470492
0.8609 High Similarity NPC474181
0.8607 High Similarity NPC231529
0.8583 High Similarity NPC8374
0.8571 High Similarity NPC269642
0.8559 High Similarity NPC103088
0.8559 High Similarity NPC470979
0.8559 High Similarity NPC470975
0.8559 High Similarity NPC251226
0.8559 High Similarity NPC474585
0.8559 High Similarity NPC476961
0.8559 High Similarity NPC474370
0.8534 High Similarity NPC270929
0.8522 High Similarity NPC25909
0.8487 Intermediate Similarity NPC4021
0.8487 Intermediate Similarity NPC46570
0.8487 Intermediate Similarity NPC159456
0.8482 Intermediate Similarity NPC180744
0.8475 Intermediate Similarity NPC5292
0.8475 Intermediate Similarity NPC473203
0.8475 Intermediate Similarity NPC230513
0.8468 Intermediate Similarity NPC231240
0.8462 Intermediate Similarity NPC469684
0.8455 Intermediate Similarity NPC470880
0.8448 Intermediate Similarity NPC67259
0.8448 Intermediate Similarity NPC147912
0.8443 Intermediate Similarity NPC473253
0.8443 Intermediate Similarity NPC298841
0.8435 Intermediate Similarity NPC269530
0.843 Intermediate Similarity NPC3381
0.8417 Intermediate Similarity NPC88326
0.8417 Intermediate Similarity NPC153700
0.8417 Intermediate Similarity NPC107493
0.8403 Intermediate Similarity NPC4548
0.8403 Intermediate Similarity NPC476962
0.8403 Intermediate Similarity NPC268530
0.8403 Intermediate Similarity NPC154491
0.84 Intermediate Similarity NPC316915
0.839 Intermediate Similarity NPC153440
0.839 Intermediate Similarity NPC329736
0.8378 Intermediate Similarity NPC254202
0.8376 Intermediate Similarity NPC243981
0.8376 Intermediate Similarity NPC190286
0.8362 Intermediate Similarity NPC470120
0.8333 Intermediate Similarity NPC310511
0.8333 Intermediate Similarity NPC474242
0.8319 Intermediate Similarity NPC61520
0.8319 Intermediate Similarity NPC473274
0.8319 Intermediate Similarity NPC475041
0.8306 Intermediate Similarity NPC476966
0.8305 Intermediate Similarity NPC239273
0.8305 Intermediate Similarity NPC243065
0.8305 Intermediate Similarity NPC473656
0.8305 Intermediate Similarity NPC470959
0.8305 Intermediate Similarity NPC284068
0.8305 Intermediate Similarity NPC476965
0.8304 Intermediate Similarity NPC189616
0.8293 Intermediate Similarity NPC470882
0.8293 Intermediate Similarity NPC473265
0.8291 Intermediate Similarity NPC470953
0.8291 Intermediate Similarity NPC238667
0.8291 Intermediate Similarity NPC284915
0.8279 Intermediate Similarity NPC470494
0.8279 Intermediate Similarity NPC469790
0.8276 Intermediate Similarity NPC265391
0.8261 Intermediate Similarity NPC473627
0.825 Intermediate Similarity NPC79579
0.825 Intermediate Similarity NPC143755
0.8235 Intermediate Similarity NPC284707
0.8235 Intermediate Similarity NPC475372
0.8235 Intermediate Similarity NPC113448
0.8235 Intermediate Similarity NPC186525
0.8226 Intermediate Similarity NPC245094
0.8226 Intermediate Similarity NPC311534
0.822 Intermediate Similarity NPC477509
0.822 Intermediate Similarity NPC470793
0.822 Intermediate Similarity NPC176840
0.8211 Intermediate Similarity NPC203702
0.8211 Intermediate Similarity NPC120994
0.8205 Intermediate Similarity NPC473535
0.8198 Intermediate Similarity NPC310981
0.8197 Intermediate Similarity NPC473979
0.819 Intermediate Similarity NPC474846
0.819 Intermediate Similarity NPC474315
0.819 Intermediate Similarity NPC474229
0.819 Intermediate Similarity NPC470246
0.819 Intermediate Similarity NPC469655
0.819 Intermediate Similarity NPC469656
0.8182 Intermediate Similarity NPC471932
0.8182 Intermediate Similarity NPC470878
0.8182 Intermediate Similarity NPC252295
0.8182 Intermediate Similarity NPC473256
0.8167 Intermediate Similarity NPC473636
0.8167 Intermediate Similarity NPC312536
0.8167 Intermediate Similarity NPC77689
0.8167 Intermediate Similarity NPC305260
0.8167 Intermediate Similarity NPC270850
0.8167 Intermediate Similarity NPC470495
0.8167 Intermediate Similarity NPC472667
0.816 Intermediate Similarity NPC35109
0.816 Intermediate Similarity NPC221414
0.8151 Intermediate Similarity NPC98249
0.8151 Intermediate Similarity NPC53396
0.8151 Intermediate Similarity NPC476959
0.8151 Intermediate Similarity NPC58662
0.8151 Intermediate Similarity NPC55296
0.8151 Intermediate Similarity NPC134430
0.8151 Intermediate Similarity NPC474518
0.8145 Intermediate Similarity NPC305496
0.8142 Intermediate Similarity NPC228669
0.8142 Intermediate Similarity NPC164835
0.813 Intermediate Similarity NPC24651
0.813 Intermediate Similarity NPC473255
0.813 Intermediate Similarity NPC470922
0.812 Intermediate Similarity NPC476163
0.812 Intermediate Similarity NPC236217
0.812 Intermediate Similarity NPC471933
0.812 Intermediate Similarity NPC222834
0.812 Intermediate Similarity NPC277769
0.8103 Intermediate Similarity NPC5284
0.8103 Intermediate Similarity NPC37116
0.8099 Intermediate Similarity NPC241192
0.8095 Intermediate Similarity NPC196921
0.8095 Intermediate Similarity NPC220757
0.8095 Intermediate Similarity NPC173347
0.8091 Intermediate Similarity NPC292133
0.8087 Intermediate Similarity NPC189075
0.8087 Intermediate Similarity NPC275539
0.8083 Intermediate Similarity NPC311554
0.8083 Intermediate Similarity NPC475913
0.8083 Intermediate Similarity NPC257457
0.8073 Intermediate Similarity NPC281134
0.807 Intermediate Similarity NPC96377
0.8067 Intermediate Similarity NPC270478
0.8067 Intermediate Similarity NPC49492
0.8067 Intermediate Similarity NPC148458
0.8067 Intermediate Similarity NPC476963
0.8067 Intermediate Similarity NPC266728
0.8067 Intermediate Similarity NPC470075
0.8053 Intermediate Similarity NPC36688
0.8053 Intermediate Similarity NPC470954
0.8051 Intermediate Similarity NPC52634
0.8051 Intermediate Similarity NPC159333
0.8051 Intermediate Similarity NPC477126
0.8049 Intermediate Similarity NPC67251
0.8049 Intermediate Similarity NPC91693
0.8049 Intermediate Similarity NPC265557
0.8049 Intermediate Similarity NPC105926
0.8049 Intermediate Similarity NPC18945
0.8049 Intermediate Similarity NPC6193
0.8049 Intermediate Similarity NPC55602
0.8031 Intermediate Similarity NPC471855
0.8031 Intermediate Similarity NPC34963
0.8017 Intermediate Similarity NPC475834
0.8017 Intermediate Similarity NPC473839
0.8017 Intermediate Similarity NPC474179
0.8017 Intermediate Similarity NPC211093
0.8017 Intermediate Similarity NPC476529
0.8017 Intermediate Similarity NPC475775
0.8017 Intermediate Similarity NPC472933
0.8017 Intermediate Similarity NPC112457
0.8017 Intermediate Similarity NPC471934

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475520 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
0.8783 High Similarity NPD7115 Discovery
0.8393 Intermediate Similarity NPD6008 Approved
0.784 Intermediate Similarity NPD7492 Approved
0.7805 Intermediate Similarity NPD6054 Approved
0.7805 Intermediate Similarity NPD6319 Approved
0.7795 Intermediate Similarity NPD7736 Approved
0.7778 Intermediate Similarity NPD6616 Approved
0.7734 Intermediate Similarity NPD7319 Approved
0.7717 Intermediate Similarity NPD7078 Approved
0.7692 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD6370 Approved
0.7667 Intermediate Similarity NPD8297 Approved
0.7638 Intermediate Similarity NPD7507 Approved
0.76 Intermediate Similarity NPD6015 Approved
0.76 Intermediate Similarity NPD6016 Approved
0.7589 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD6649 Approved
0.7583 Intermediate Similarity NPD6650 Approved
0.754 Intermediate Similarity NPD5988 Approved
0.752 Intermediate Similarity NPD6059 Approved
0.75 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7479 Intermediate Similarity NPD6881 Approved
0.7479 Intermediate Similarity NPD6899 Approved
0.7459 Intermediate Similarity NPD4632 Approved
0.7442 Intermediate Similarity NPD8293 Discontinued
0.7417 Intermediate Similarity NPD6372 Approved
0.7417 Intermediate Similarity NPD6373 Approved
0.7395 Intermediate Similarity NPD5697 Approved
0.7391 Intermediate Similarity NPD4225 Approved
0.7391 Intermediate Similarity NPD7638 Approved
0.7377 Intermediate Similarity NPD6882 Approved
0.7355 Intermediate Similarity NPD6883 Approved
0.7355 Intermediate Similarity NPD7102 Approved
0.7355 Intermediate Similarity NPD7290 Approved
0.7344 Intermediate Similarity NPD7604 Phase 2
0.7333 Intermediate Similarity NPD7320 Approved
0.7328 Intermediate Similarity NPD7640 Approved
0.7328 Intermediate Similarity NPD7639 Approved
0.7311 Intermediate Similarity NPD7128 Approved
0.7311 Intermediate Similarity NPD5739 Approved
0.7311 Intermediate Similarity NPD6675 Approved
0.7311 Intermediate Similarity NPD6402 Approved
0.7295 Intermediate Similarity NPD6869 Approved
0.7295 Intermediate Similarity NPD6847 Approved
0.7295 Intermediate Similarity NPD8130 Phase 1
0.7295 Intermediate Similarity NPD6617 Approved
0.728 Intermediate Similarity NPD6009 Approved
0.7273 Intermediate Similarity NPD6014 Approved
0.7273 Intermediate Similarity NPD6012 Approved
0.7273 Intermediate Similarity NPD3573 Approved
0.7273 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6013 Approved
0.7248 Intermediate Similarity NPD1694 Approved
0.7236 Intermediate Similarity NPD6053 Discontinued
0.7213 Intermediate Similarity NPD4634 Approved
0.7193 Intermediate Similarity NPD6001 Approved
0.719 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD6011 Approved
0.7188 Intermediate Similarity NPD8513 Phase 3
0.7188 Intermediate Similarity NPD7503 Approved
0.7188 Intermediate Similarity NPD5983 Phase 2
0.7168 Intermediate Similarity NPD6079 Approved
0.7107 Intermediate Similarity NPD5701 Approved
0.7105 Intermediate Similarity NPD6399 Phase 3
0.7099 Intermediate Similarity NPD6336 Discontinued
0.7087 Intermediate Similarity NPD7328 Approved
0.7087 Intermediate Similarity NPD7327 Approved
0.7077 Intermediate Similarity NPD8328 Phase 3
0.7059 Intermediate Similarity NPD5211 Phase 2
0.7054 Intermediate Similarity NPD8517 Approved
0.7054 Intermediate Similarity NPD8033 Approved
0.7054 Intermediate Similarity NPD8515 Approved
0.7054 Intermediate Similarity NPD6672 Approved
0.7054 Intermediate Similarity NPD8516 Approved
0.7054 Intermediate Similarity NPD6903 Approved
0.7054 Intermediate Similarity NPD5737 Approved
0.7054 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD6686 Approved
0.7043 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD7900 Approved
0.7034 Intermediate Similarity NPD4696 Approved
0.7034 Intermediate Similarity NPD5285 Approved
0.7034 Intermediate Similarity NPD5286 Approved
0.7031 Intermediate Similarity NPD7516 Approved
0.7027 Intermediate Similarity NPD7334 Approved
0.7027 Intermediate Similarity NPD5330 Approved
0.7027 Intermediate Similarity NPD6409 Approved
0.7027 Intermediate Similarity NPD6684 Approved
0.7027 Intermediate Similarity NPD7521 Approved
0.7027 Intermediate Similarity NPD7146 Approved
0.7018 Intermediate Similarity NPD5693 Phase 1
0.6992 Remote Similarity NPD6033 Approved
0.6991 Remote Similarity NPD5328 Approved
0.6977 Remote Similarity NPD8377 Approved
0.6977 Remote Similarity NPD8294 Approved
0.6967 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6963 Remote Similarity NPD7260 Phase 2
0.6942 Remote Similarity NPD5141 Approved
0.6937 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6935 Remote Similarity NPD6371 Approved
0.693 Remote Similarity NPD5207 Approved
0.6923 Remote Similarity NPD8378 Approved
0.6923 Remote Similarity NPD5221 Approved
0.6923 Remote Similarity NPD8335 Approved
0.6923 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8380 Approved
0.6923 Remote Similarity NPD8379 Approved
0.6923 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5222 Approved
0.6923 Remote Similarity NPD8296 Approved
0.6917 Remote Similarity NPD4633 Approved
0.6917 Remote Similarity NPD5224 Approved
0.6917 Remote Similarity NPD5225 Approved
0.6917 Remote Similarity NPD5226 Approved
0.6899 Remote Similarity NPD7101 Approved
0.6899 Remote Similarity NPD7100 Approved
0.6897 Remote Similarity NPD7748 Approved
0.688 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6864 Remote Similarity NPD5173 Approved
0.6864 Remote Similarity NPD4755 Approved
0.6864 Remote Similarity NPD7902 Approved
0.6864 Remote Similarity NPD6083 Phase 2
0.6864 Remote Similarity NPD6084 Phase 2
0.686 Remote Similarity NPD5174 Approved
0.686 Remote Similarity NPD5175 Approved
0.6842 Remote Similarity NPD6080 Approved
0.6842 Remote Similarity NPD6904 Approved
0.6842 Remote Similarity NPD1695 Approved
0.6842 Remote Similarity NPD6673 Approved
0.6838 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6833 Remote Similarity NPD5223 Approved
0.6829 Remote Similarity NPD6412 Phase 2
0.6822 Remote Similarity NPD6335 Approved
0.6818 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6807 Remote Similarity NPD5696 Approved
0.6797 Remote Similarity NPD6274 Approved
0.6797 Remote Similarity NPD6868 Approved
0.6788 Remote Similarity NPD6845 Suspended
0.678 Remote Similarity NPD4697 Phase 3
0.6777 Remote Similarity NPD7632 Discontinued
0.6774 Remote Similarity NPD4730 Approved
0.6774 Remote Similarity NPD4729 Approved
0.675 Remote Similarity NPD6648 Approved
0.675 Remote Similarity NPD4700 Approved
0.6744 Remote Similarity NPD6317 Approved
0.6744 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6726 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6726 Remote Similarity NPD3618 Phase 1
0.6724 Remote Similarity NPD7515 Phase 2
0.6696 Remote Similarity NPD6051 Approved
0.6695 Remote Similarity NPD5695 Phase 3
0.6694 Remote Similarity NPD5344 Discontinued
0.6692 Remote Similarity NPD6314 Approved
0.6692 Remote Similarity NPD6313 Approved
0.6667 Remote Similarity NPD5248 Approved
0.6667 Remote Similarity NPD5251 Approved
0.6667 Remote Similarity NPD5249 Phase 3
0.6667 Remote Similarity NPD5247 Approved
0.6667 Remote Similarity NPD5778 Approved
0.6667 Remote Similarity NPD5779 Approved
0.6667 Remote Similarity NPD8074 Phase 3
0.6667 Remote Similarity NPD5250 Approved
0.6667 Remote Similarity NPD6921 Approved
0.6641 Remote Similarity NPD8133 Approved
0.6638 Remote Similarity NPD6698 Approved
0.6638 Remote Similarity NPD5785 Approved
0.6638 Remote Similarity NPD46 Approved
0.6613 Remote Similarity NPD4767 Approved
0.6613 Remote Similarity NPD4768 Approved
0.6609 Remote Similarity NPD5208 Approved
0.6587 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6585 Remote Similarity NPD6052 Approved
0.6581 Remote Similarity NPD8035 Phase 2
0.6581 Remote Similarity NPD5694 Approved
0.6581 Remote Similarity NPD6050 Approved
0.6581 Remote Similarity NPD6411 Approved
0.6581 Remote Similarity NPD7637 Suspended
0.6581 Remote Similarity NPD8034 Phase 2
0.6579 Remote Similarity NPD6098 Approved
0.6555 Remote Similarity NPD5210 Approved
0.6555 Remote Similarity NPD4629 Approved
0.6549 Remote Similarity NPD4786 Approved
0.6541 Remote Similarity NPD6908 Approved
0.6541 Remote Similarity NPD6909 Approved
0.6525 Remote Similarity NPD4202 Approved
0.6522 Remote Similarity NPD7799 Discontinued
0.6522 Remote Similarity NPD5956 Approved
0.6508 Remote Similarity NPD5128 Approved
0.6496 Remote Similarity NPD5692 Phase 3
0.6484 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6484 Remote Similarity NPD5215 Approved
0.6484 Remote Similarity NPD5217 Approved
0.6484 Remote Similarity NPD5216 Approved
0.6471 Remote Similarity NPD5282 Discontinued
0.6452 Remote Similarity NPD4754 Approved
0.6444 Remote Similarity NPD6067 Discontinued
0.6441 Remote Similarity NPD5281 Approved
0.6441 Remote Similarity NPD5284 Approved
0.6434 Remote Similarity NPD6334 Approved
0.6434 Remote Similarity NPD6333 Approved

Structure

External Identifiers

PubChem CID   21670297
ChEMBL   CHEMBL507201
ZINC  

Physicochemical Properties

Molecular Weight:  524.24
ALogP:  1.3995
MLogP:  3.88
XLogP:  2.751
# Rotatable Bonds:  8
Polar Surface Area:  108.5
# H-Bond Aceptor:  8
# H-Bond Donor:  0
# Rings:  7
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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