Natural Product: NPC328639

Natural Product ID:  NPC328639
Common Name:   Talaperoxide A
IUPAC Name:  
Synonyms:   talaperoxide A
Molecular Formula:   C16H24O5
Standard InCHIKey:  KLVLZPYIONMIPB-YXAMBPQSSA-N
Standard InCHI:  InChI=1S/C16H24O5/c1-10(17)19-11-5-8-16-9-12(11)20-21-15(16,4)13(18)6-7-14(16,2)3/h11-12H,5-9H2,1-4H3/t11-,12-,15+,16+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1CC[C@@]23C[C@@H]1OO[C@]3(C)C(=O)CCC2(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
NPO25220 Talaromyces flavus Species Trichocomaceae Eukaryota Isolated from fresh, healthy leaves of Sonneratia apetala Dongzhaigang Mangrove National Nature Reserve in Hainan Island, China 2009-APR PMID[21545109]
NPO25220 Talaromyces flavus Species Trichocomaceae Eukaryota mycelium PMID[21545109]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 = 19.77 ug/ml 21545109
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 = 11.78 ug/ml 21545109
NPT65 Cell Line HepG2 Homo sapiens IC50 = 12.93 ug/ml 21545109
NPT165 Cell Line HeLa Homo sapiens IC50 = 13.7 ug/ml 21545109
NPT306 Cell Line PC-3 Homo sapiens IC50 = 5.7 ug/ml 21545109
NPT176 Organism Artemia salina Artemia salina LD50 < 10 ppm 21545109

  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 NPC328639 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 NPC329490
0.8395 Intermediate Similarity NPC125366
0.8375 Intermediate Similarity NPC478084
0.8353 Intermediate Similarity NPC470920
0.8295 Intermediate Similarity NPC474379
0.8267 Intermediate Similarity NPC329466
0.8267 Intermediate Similarity NPC328304
0.8182 Intermediate Similarity NPC216137
0.8046 Intermediate Similarity NPC236459
0.8023 Intermediate Similarity NPC248216
0.8023 Intermediate Similarity NPC477441
0.7952 Intermediate Similarity NPC134227
0.7875 Intermediate Similarity NPC55508
0.7802 Intermediate Similarity NPC477495
0.7753 Intermediate Similarity NPC477443
0.7753 Intermediate Similarity NPC477440
0.7701 Intermediate Similarity NPC477205
0.7674 Intermediate Similarity NPC269684
0.7667 Intermediate Similarity NPC477444
0.7667 Intermediate Similarity NPC477442
0.7667 Intermediate Similarity NPC477433
0.764 Intermediate Similarity NPC476435
0.764 Intermediate Similarity NPC476379
0.7614 Intermediate Similarity NPC120395
0.7609 Intermediate Similarity NPC309127
0.7609 Intermediate Similarity NPC247877
0.759 Intermediate Similarity NPC143250
0.7586 Intermediate Similarity NPC9060
0.7586 Intermediate Similarity NPC477434
0.7586 Intermediate Similarity NPC181871
0.7586 Intermediate Similarity NPC237938
0.7586 Intermediate Similarity NPC219535
0.7586 Intermediate Similarity NPC65133
0.7553 Intermediate Similarity NPC266417
0.7531 Intermediate Similarity NPC109510
0.75 Intermediate Similarity NPC477445
0.75 Intermediate Similarity NPC474572
0.7473 Intermediate Similarity NPC185529
0.7473 Intermediate Similarity NPC472146
0.7471 Intermediate Similarity NPC227170
0.7471 Intermediate Similarity NPC476721
0.747 Intermediate Similarity NPC471046
0.7447 Intermediate Similarity NPC476728
0.7447 Intermediate Similarity NPC163685
0.7447 Intermediate Similarity NPC235109
0.7442 Intermediate Similarity NPC45256
0.7442 Intermediate Similarity NPC285480
0.7442 Intermediate Similarity NPC30443
0.7442 Intermediate Similarity NPC260977
0.7423 Intermediate Similarity NPC471254
0.7416 Intermediate Similarity NPC475729
0.7416 Intermediate Similarity NPC474215
0.7416 Intermediate Similarity NPC83242
0.74 Intermediate Similarity NPC289702
0.74 Intermediate Similarity NPC208461
0.7386 Intermediate Similarity NPC475689
0.7368 Intermediate Similarity NPC471241
0.7363 Intermediate Similarity NPC67653
0.7363 Intermediate Similarity NPC471459
0.7363 Intermediate Similarity NPC200580
0.7347 Intermediate Similarity NPC471253
0.734 Intermediate Similarity NPC82633
0.734 Intermediate Similarity NPC287354
0.734 Intermediate Similarity NPC62407
0.734 Intermediate Similarity NPC217329
0.7333 Intermediate Similarity NPC239938
0.7326 Intermediate Similarity NPC60568
0.7303 Intermediate Similarity NPC473350
0.7292 Intermediate Similarity NPC17183
0.7292 Intermediate Similarity NPC253995
0.7283 Intermediate Similarity NPC77756
0.7283 Intermediate Similarity NPC470114
0.7283 Intermediate Similarity NPC18536
0.7283 Intermediate Similarity NPC50443
0.7273 Intermediate Similarity NPC15091
0.7263 Intermediate Similarity NPC256227
0.7263 Intermediate Similarity NPC475765
0.7263 Intermediate Similarity NPC475785
0.7263 Intermediate Similarity NPC219353
0.7263 Intermediate Similarity NPC477264
0.7253 Intermediate Similarity NPC471221
0.7253 Intermediate Similarity NPC473319
0.7253 Intermediate Similarity NPC131104
0.7253 Intermediate Similarity NPC3032
0.7253 Intermediate Similarity NPC221993
0.7245 Intermediate Similarity NPC470172
0.7241 Intermediate Similarity NPC476071
0.7234 Intermediate Similarity NPC470424
0.7229 Intermediate Similarity NPC96759
0.7228 Intermediate Similarity NPC293850
0.7222 Intermediate Similarity NPC476717
0.7222 Intermediate Similarity NPC476726
0.7222 Intermediate Similarity NPC80700
0.7222 Intermediate Similarity NPC472272
0.7222 Intermediate Similarity NPC476727
0.7209 Intermediate Similarity NPC477287
0.7204 Intermediate Similarity NPC52756
0.7204 Intermediate Similarity NPC476934
0.72 Intermediate Similarity NPC181357
0.7195 Intermediate Similarity NPC96322
0.7191 Intermediate Similarity NPC473299
0.7191 Intermediate Similarity NPC471044
0.7191 Intermediate Similarity NPC473336
0.7188 Intermediate Similarity NPC472273
0.7188 Intermediate Similarity NPC74466
0.7172 Intermediate Similarity NPC473406
0.7159 Intermediate Similarity NPC121121
0.7158 Intermediate Similarity NPC305808
0.7158 Intermediate Similarity NPC470031
0.7157 Intermediate Similarity NPC27814
0.7157 Intermediate Similarity NPC474242
0.7143 Intermediate Similarity NPC252614
0.7143 Intermediate Similarity NPC298266
0.7143 Intermediate Similarity NPC259654
0.7129 Intermediate Similarity NPC3316
0.7129 Intermediate Similarity NPC203974
0.7129 Intermediate Similarity NPC144854
0.7128 Intermediate Similarity NPC472148
0.7128 Intermediate Similarity NPC472147
0.7128 Intermediate Similarity NPC476189
0.7126 Intermediate Similarity NPC1882
0.7113 Intermediate Similarity NPC472144
0.7113 Intermediate Similarity NPC474724
0.7111 Intermediate Similarity NPC476715
0.7108 Intermediate Similarity NPC474755
0.7108 Intermediate Similarity NPC123122
0.71 Intermediate Similarity NPC88469
0.71 Intermediate Similarity NPC65523
0.7097 Intermediate Similarity NPC88337
0.7097 Intermediate Similarity NPC475211
0.7093 Intermediate Similarity NPC475725
0.7087 Intermediate Similarity NPC100908
0.7083 Intermediate Similarity NPC193785
0.7059 Intermediate Similarity NPC277017
0.7059 Intermediate Similarity NPC474020
0.7059 Intermediate Similarity NPC154608
0.7059 Intermediate Similarity NPC192813
0.7053 Intermediate Similarity NPC470423
0.7048 Intermediate Similarity NPC49451
0.7048 Intermediate Similarity NPC7921
0.7048 Intermediate Similarity NPC208998
0.7045 Intermediate Similarity NPC470154
0.7045 Intermediate Similarity NPC470156
0.7045 Intermediate Similarity NPC475743
0.7041 Intermediate Similarity NPC293890
0.7041 Intermediate Similarity NPC472972
0.7033 Intermediate Similarity NPC243746
0.7033 Intermediate Similarity NPC474008
0.7021 Intermediate Similarity NPC475878
0.7021 Intermediate Similarity NPC470230
0.7021 Intermediate Similarity NPC198054
0.7019 Intermediate Similarity NPC171888
0.7019 Intermediate Similarity NPC201992
0.7019 Intermediate Similarity NPC146945
0.7013 Intermediate Similarity NPC204173
0.7011 Intermediate Similarity NPC201276
0.7011 Intermediate Similarity NPC73013
0.7011 Intermediate Similarity NPC320144
0.7011 Intermediate Similarity NPC80891
0.7011 Intermediate Similarity NPC275243
0.701 Intermediate Similarity NPC470632
0.701 Intermediate Similarity NPC472145
0.7 Intermediate Similarity NPC277074
0.7 Intermediate Similarity NPC291310
0.7 Intermediate Similarity NPC79308
0.7 Intermediate Similarity NPC209298
0.7 Intermediate Similarity NPC84562
0.7 Intermediate Similarity NPC122811
0.699 Remote Similarity NPC208333
0.699 Remote Similarity NPC236753
0.699 Remote Similarity NPC228190
0.699 Remote Similarity NPC227879
0.699 Remote Similarity NPC141350
0.6988 Remote Similarity NPC478227
0.6981 Remote Similarity NPC45218
0.6981 Remote Similarity NPC268238
0.6981 Remote Similarity NPC473798
0.6981 Remote Similarity NPC143268
0.6981 Remote Similarity NPC299849
0.6981 Remote Similarity NPC323821
0.6979 Remote Similarity NPC17336
0.6977 Remote Similarity NPC112463
0.6977 Remote Similarity NPC307865
0.6977 Remote Similarity NPC471151
0.6966 Remote Similarity NPC477284
0.6966 Remote Similarity NPC477446
0.6966 Remote Similarity NPC470155
0.6966 Remote Similarity NPC289486
0.6966 Remote Similarity NPC477447
0.6966 Remote Similarity NPC61107
0.6961 Remote Similarity NPC202524
0.6961 Remote Similarity NPC186054
0.6961 Remote Similarity NPC471474
0.6957 Remote Similarity NPC263802
0.6952 Remote Similarity NPC11252
0.6952 Remote Similarity NPC474516
0.6952 Remote Similarity NPC289312
0.6947 Remote Similarity NPC469315
0.6941 Remote Similarity NPC159789
0.6939 Remote Similarity NPC474793

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC328639 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
0.7442 Intermediate Similarity NPD1780 Approved
0.7442 Intermediate Similarity NPD1779 Approved
0.74 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.6941 Remote Similarity NPD3703 Phase 2
0.6897 Remote Similarity NPD6697 Approved
0.6897 Remote Similarity NPD6118 Approved
0.6897 Remote Similarity NPD6115 Approved
0.6897 Remote Similarity NPD6114 Approved
0.68 Remote Similarity NPD1700 Approved
0.6786 Remote Similarity NPD5777 Approved
0.6782 Remote Similarity NPD6116 Phase 1
0.6744 Remote Similarity NPD3702 Approved
0.6703 Remote Similarity NPD3669 Approved
0.6703 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6117 Approved
0.6607 Remote Similarity NPD6921 Approved
0.6574 Remote Similarity NPD4632 Approved
0.6538 Remote Similarity NPD6008 Approved
0.6509 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2687 Approved
0.6471 Remote Similarity NPD2254 Approved
0.6471 Remote Similarity NPD2686 Approved
0.6442 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6437 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6421 Remote Similarity NPD3573 Approved
0.6396 Remote Similarity NPD6009 Approved
0.6396 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6381 Remote Similarity NPD6402 Approved
0.6381 Remote Similarity NPD5739 Approved
0.6381 Remote Similarity NPD6675 Approved
0.6381 Remote Similarity NPD7128 Approved
0.6372 Remote Similarity NPD6319 Approved
0.6355 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6353 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6353 Remote Similarity NPD3700 Clinical (unspecified phase)
0.633 Remote Similarity NPD8297 Approved
0.6321 Remote Similarity NPD5701 Approved
0.6321 Remote Similarity NPD5697 Approved
0.6316 Remote Similarity NPD5983 Phase 2
0.6296 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6881 Approved
0.6262 Remote Similarity NPD7320 Approved
0.6262 Remote Similarity NPD6899 Approved
0.6262 Remote Similarity NPD6011 Approved
0.6207 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6207 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6207 Remote Similarity NPD7604 Phase 2
0.6207 Remote Similarity NPD8328 Phase 3
0.6204 Remote Similarity NPD6014 Approved
0.6204 Remote Similarity NPD6013 Approved
0.6204 Remote Similarity NPD6372 Approved
0.6204 Remote Similarity NPD6373 Approved
0.6204 Remote Similarity NPD6012 Approved
0.62 Remote Similarity NPD7901 Clinical (unspecified phase)
0.62 Remote Similarity NPD7900 Approved
0.619 Remote Similarity NPD4224 Phase 2
0.6162 Remote Similarity NPD8035 Phase 2
0.6162 Remote Similarity NPD8034 Phase 2
0.6154 Remote Similarity NPD7492 Approved
0.6147 Remote Similarity NPD6883 Approved
0.6147 Remote Similarity NPD7102 Approved
0.6147 Remote Similarity NPD7290 Approved
0.6102 Remote Similarity NPD6336 Discontinued
0.6102 Remote Similarity NPD6616 Approved
0.6092 Remote Similarity NPD4789 Approved
0.6091 Remote Similarity NPD6650 Approved
0.6091 Remote Similarity NPD6617 Approved
0.6091 Remote Similarity NPD8130 Phase 1
0.6091 Remote Similarity NPD6649 Approved
0.6091 Remote Similarity NPD6847 Approved
0.6091 Remote Similarity NPD6869 Approved
0.6091 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6059 Approved
0.6087 Remote Similarity NPD6054 Approved
0.6067 Remote Similarity NPD1810 Approved
0.6067 Remote Similarity NPD1811 Approved
0.605 Remote Similarity NPD7078 Approved
0.605 Remote Similarity NPD8293 Discontinued
0.6047 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6047 Remote Similarity NPD229 Approved
0.6047 Remote Similarity NPD5360 Phase 3
0.604 Remote Similarity NPD7748 Approved
0.6036 Remote Similarity NPD6882 Approved
0.6034 Remote Similarity NPD6016 Approved
0.6034 Remote Similarity NPD6015 Approved
0.6023 Remote Similarity NPD6081 Approved
0.602 Remote Similarity NPD6672 Approved
0.602 Remote Similarity NPD5737 Approved
0.6019 Remote Similarity NPD4755 Approved
0.6019 Remote Similarity NPD7902 Approved
0.6 Remote Similarity NPD7736 Approved
0.5983 Remote Similarity NPD5988 Approved
0.5983 Remote Similarity NPD6370 Approved
0.5982 Remote Similarity NPD8133 Approved
0.5977 Remote Similarity NPD3698 Phase 2
0.5952 Remote Similarity NPD371 Approved
0.5941 Remote Similarity NPD6399 Phase 3
0.5909 Remote Similarity NPD4245 Approved
0.5909 Remote Similarity NPD4244 Approved
0.5905 Remote Similarity NPD5285 Approved
0.5905 Remote Similarity NPD4696 Approved
0.5905 Remote Similarity NPD5286 Approved
0.5905 Remote Similarity NPD4700 Approved
0.5882 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5877 Remote Similarity NPD6274 Approved
0.5876 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5856 Remote Similarity NPD4634 Approved
0.5849 Remote Similarity NPD5223 Approved
0.5843 Remote Similarity NPD4758 Discontinued
0.5842 Remote Similarity NPD7515 Phase 2
0.5833 Remote Similarity NPD7507 Approved
0.5826 Remote Similarity NPD6317 Approved
0.5818 Remote Similarity NPD6686 Approved
0.5816 Remote Similarity NPD6684 Approved
0.5816 Remote Similarity NPD7334 Approved
0.5816 Remote Similarity NPD7146 Approved
0.5816 Remote Similarity NPD5330 Approved
0.5816 Remote Similarity NPD7521 Approved
0.5816 Remote Similarity NPD6098 Approved
0.5816 Remote Similarity NPD6409 Approved
0.581 Remote Similarity NPD7638 Approved
0.5806 Remote Similarity NPD3671 Phase 1
0.58 Remote Similarity NPD6080 Approved
0.58 Remote Similarity NPD6673 Approved
0.58 Remote Similarity NPD6904 Approved
0.5794 Remote Similarity NPD5224 Approved
0.5794 Remote Similarity NPD8301 Approved
0.5794 Remote Similarity NPD5225 Approved
0.5794 Remote Similarity NPD8300 Approved
0.5794 Remote Similarity NPD5226 Approved
0.5794 Remote Similarity NPD5211 Phase 2
0.5794 Remote Similarity NPD4633 Approved
0.5776 Remote Similarity NPD6313 Approved
0.5776 Remote Similarity NPD6335 Approved
0.5776 Remote Similarity NPD6314 Approved
0.5769 Remote Similarity NPD4697 Phase 3
0.5769 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5221 Approved
0.5769 Remote Similarity NPD5222 Approved
0.5755 Remote Similarity NPD7640 Approved
0.5755 Remote Similarity NPD7639 Approved
0.5741 Remote Similarity NPD5175 Approved
0.5741 Remote Similarity NPD5174 Approved
0.5741 Remote Similarity NPD4754 Approved
0.5739 Remote Similarity NPD6940 Discontinued
0.5738 Remote Similarity NPD6033 Approved
0.573 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5727 Remote Similarity NPD6412 Phase 2
0.5726 Remote Similarity NPD7101 Approved
0.5726 Remote Similarity NPD7100 Approved
0.5714 Remote Similarity NPD6083 Phase 2
0.5714 Remote Similarity NPD6084 Phase 2
0.5714 Remote Similarity NPD5173 Approved
0.57 Remote Similarity NPD7513 Clinical (unspecified phase)
0.57 Remote Similarity NPD6903 Approved
0.5691 Remote Similarity NPD7319 Approved
0.5688 Remote Similarity NPD5141 Approved
0.5686 Remote Similarity NPD5693 Phase 1
0.5686 Remote Similarity NPD6411 Approved
0.5684 Remote Similarity NPD6928 Phase 2
0.5673 Remote Similarity NPD5695 Phase 3
0.5673 Remote Similarity NPD6356 Clinical (unspecified phase)
0.566 Remote Similarity NPD5696 Approved
0.5648 Remote Similarity NPD7632 Discontinued
0.5644 Remote Similarity NPD5328 Approved
0.5638 Remote Similarity NPD5364 Discontinued
0.5638 Remote Similarity NPD4802 Phase 2
0.5638 Remote Similarity NPD4238 Approved
0.5636 Remote Similarity NPD4768 Approved
0.5636 Remote Similarity NPD4767 Approved
0.563 Remote Similarity NPD6291 Clinical (unspecified phase)
0.563 Remote Similarity NPD6908 Approved
0.563 Remote Similarity NPD6909 Approved
0.5625 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5618 Remote Similarity NPD3726 Approved
0.5618 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5618 Remote Similarity NPD3725 Approved
0.5607 Remote Similarity NPD8418 Phase 2
0.5603 Remote Similarity NPD6868 Approved

Structure

External Identifiers

PubChem CID   54583335
ChEMBL   CHEMBL1784533
ZINC  

Physicochemical Properties

Molecular Weight:  296.16
ALogP:  1.0202
MLogP:  2.67
XLogP:  2.419
# Rotatable Bonds:  6
Polar Surface Area:  61.83
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  21

Download Data

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Biological Activities  
Similar NPs/Drugs