Natural Product: NPC329466

Natural Product ID:  NPC329466
Common Name:   Talaperoxide D
IUPAC Name:  
Synonyms:   talaperoxide D
Molecular Formula:   C14H20O4
Standard InCHIKey:  JENHNTUYAQEPPI-LEWSCRJBSA-N
Standard InCHI:  InChI=1S/C14H20O4/c1-12(2)6-5-11(16)13(3)14(12)7-4-9(15)10(8-14)17-18-13/h10H,4-8H2,1-3H3/t10-,13-,14+/m0/s1
Canonical SMILES:  O=C1CC[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 = 1.92 ug/ml 21545109
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 = 0.91 ug/ml 21545109
NPT65 Cell Line HepG2 Homo sapiens IC50 = 0.9 ug/ml 21545109
NPT165 Cell Line HeLa Homo sapiens IC50 = 1.31 ug/ml 21545109
NPT306 Cell Line PC-3 Homo sapiens IC50 = 0.7 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 NPC329466 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 NPC328304
0.8611 High Similarity NPC478084
0.8267 Intermediate Similarity NPC328639
0.8267 Intermediate Similarity NPC329490
0.7714 Intermediate Similarity NPC472984
0.7595 Intermediate Similarity NPC327451
0.7532 Intermediate Similarity NPC275243
0.7436 Intermediate Similarity NPC125366
0.7368 Intermediate Similarity NPC471046
0.7317 Intermediate Similarity NPC248216
0.7317 Intermediate Similarity NPC476726
0.7317 Intermediate Similarity NPC476727
0.7317 Intermediate Similarity NPC120395
0.7284 Intermediate Similarity NPC475689
0.7237 Intermediate Similarity NPC267753
0.7237 Intermediate Similarity NPC125767
0.7237 Intermediate Similarity NPC21220
0.7237 Intermediate Similarity NPC159789
0.72 Intermediate Similarity NPC109510
0.72 Intermediate Similarity NPC474755
0.7179 Intermediate Similarity NPC475725
0.7143 Intermediate Similarity NPC236459
0.7143 Intermediate Similarity NPC472486
0.7143 Intermediate Similarity NPC90676
0.7143 Intermediate Similarity NPC472487
0.7123 Intermediate Similarity NPC475977
0.7108 Intermediate Similarity NPC477441
0.7108 Intermediate Similarity NPC475276
0.7108 Intermediate Similarity NPC34190
0.7105 Intermediate Similarity NPC133922
0.7105 Intermediate Similarity NPC254340
0.7105 Intermediate Similarity NPC130011
0.7089 Intermediate Similarity NPC320144
0.7073 Intermediate Similarity NPC50438
0.7073 Intermediate Similarity NPC105895
0.7067 Intermediate Similarity NPC89310
0.7067 Intermediate Similarity NPC126642
0.7051 Intermediate Similarity NPC475031
0.7051 Intermediate Similarity NPC221420
0.7027 Intermediate Similarity NPC213178
0.7027 Intermediate Similarity NPC327728
0.7027 Intermediate Similarity NPC6120
0.7027 Intermediate Similarity NPC131892
0.7024 Intermediate Similarity NPC470920
0.7011 Intermediate Similarity NPC474379
0.7 Intermediate Similarity NPC134227
0.6974 Remote Similarity NPC232112
0.6974 Remote Similarity NPC68426
0.6974 Remote Similarity NPC282905
0.6974 Remote Similarity NPC81759
0.6974 Remote Similarity NPC477229
0.6962 Remote Similarity NPC185465
0.6962 Remote Similarity NPC26029
0.6951 Remote Similarity NPC269684
0.6932 Remote Similarity NPC309127
0.6932 Remote Similarity NPC247877
0.6923 Remote Similarity NPC5767
0.6923 Remote Similarity NPC475742
0.6923 Remote Similarity NPC108840
0.6914 Remote Similarity NPC476071
0.6892 Remote Similarity NPC474954
0.6883 Remote Similarity NPC168511
0.6883 Remote Similarity NPC317212
0.6883 Remote Similarity NPC55508
0.6883 Remote Similarity NPC159325
0.686 Remote Similarity NPC477440
0.686 Remote Similarity NPC477443
0.6842 Remote Similarity NPC320549
0.6842 Remote Similarity NPC151018
0.6842 Remote Similarity NPC247195
0.6842 Remote Similarity NPC156277
0.6842 Remote Similarity NPC58057
0.6842 Remote Similarity NPC478227
0.6835 Remote Similarity NPC307865
0.6835 Remote Similarity NPC207010
0.6835 Remote Similarity NPC143250
0.6835 Remote Similarity NPC317913
0.6835 Remote Similarity NPC23884
0.6829 Remote Similarity NPC271163
0.6829 Remote Similarity NPC317066
0.6829 Remote Similarity NPC268040
0.6829 Remote Similarity NPC328007
0.6824 Remote Similarity NPC263802
0.68 Remote Similarity NPC321732
0.68 Remote Similarity NPC324607
0.6795 Remote Similarity NPC174964
0.6795 Remote Similarity NPC97534
0.6795 Remote Similarity NPC195155
0.6795 Remote Similarity NPC273366
0.679 Remote Similarity NPC476265
0.679 Remote Similarity NPC274522
0.6786 Remote Similarity NPC477205
0.6782 Remote Similarity NPC477444
0.6782 Remote Similarity NPC477442
0.6782 Remote Similarity NPC477433
0.6757 Remote Similarity NPC41542
0.6753 Remote Similarity NPC474123
0.675 Remote Similarity NPC478128
0.675 Remote Similarity NPC472608
0.6747 Remote Similarity NPC227170
0.6742 Remote Similarity NPC293086
0.6742 Remote Similarity NPC212812
0.6712 Remote Similarity NPC230047
0.6712 Remote Similarity NPC306805
0.6712 Remote Similarity NPC19311
0.6712 Remote Similarity NPC215987
0.6712 Remote Similarity NPC469791
0.6711 Remote Similarity NPC163020
0.6709 Remote Similarity NPC78935
0.6709 Remote Similarity NPC4209
0.6707 Remote Similarity NPC469745
0.6707 Remote Similarity NPC328264
0.6706 Remote Similarity NPC243746
0.6706 Remote Similarity NPC472272
0.6706 Remote Similarity NPC80700
0.6706 Remote Similarity NPC474215
0.6706 Remote Similarity NPC475729
0.6705 Remote Similarity NPC248913
0.6705 Remote Similarity NPC216137
0.6667 Remote Similarity NPC472310
0.6667 Remote Similarity NPC200580
0.6667 Remote Similarity NPC73013
0.6667 Remote Similarity NPC305808
0.6667 Remote Similarity NPC470956
0.6667 Remote Similarity NPC2568
0.6667 Remote Similarity NPC477434
0.6667 Remote Similarity NPC103647
0.6667 Remote Similarity NPC180777
0.6667 Remote Similarity NPC9060
0.6667 Remote Similarity NPC34984
0.6667 Remote Similarity NPC181871
0.6667 Remote Similarity NPC25037
0.6667 Remote Similarity NPC237938
0.6667 Remote Similarity NPC474996
0.6667 Remote Similarity NPC260319
0.6667 Remote Similarity NPC219535
0.6667 Remote Similarity NPC474754
0.6627 Remote Similarity NPC476292
0.6627 Remote Similarity NPC70479
0.6627 Remote Similarity NPC289486
0.6627 Remote Similarity NPC48362
0.6627 Remote Similarity NPC474605
0.6627 Remote Similarity NPC30583
0.6627 Remote Similarity NPC61107
0.6625 Remote Similarity NPC472746
0.6625 Remote Similarity NPC112463
0.6625 Remote Similarity NPC476811
0.6625 Remote Similarity NPC264602
0.6625 Remote Similarity NPC471151
0.6622 Remote Similarity NPC84562
0.662 Remote Similarity NPC204173
0.662 Remote Similarity NPC478126
0.6593 Remote Similarity NPC165616
0.6593 Remote Similarity NPC476728
0.6593 Remote Similarity NPC477264
0.6591 Remote Similarity NPC476296
0.6588 Remote Similarity NPC477445
0.6588 Remote Similarity NPC474572
0.6585 Remote Similarity NPC477851
0.6585 Remote Similarity NPC1882
0.6582 Remote Similarity NPC35871
0.6582 Remote Similarity NPC212733
0.6582 Remote Similarity NPC472311
0.6582 Remote Similarity NPC68565
0.6582 Remote Similarity NPC179858
0.6579 Remote Similarity NPC178541
0.6579 Remote Similarity NPC196197
0.6556 Remote Similarity NPC478089
0.6556 Remote Similarity NPC272635
0.6556 Remote Similarity NPC169751
0.6552 Remote Similarity NPC226491
0.6552 Remote Similarity NPC477614
0.6548 Remote Similarity NPC15091
0.6548 Remote Similarity NPC118800
0.6548 Remote Similarity NPC472744
0.6543 Remote Similarity NPC31031
0.6543 Remote Similarity NPC34046
0.6543 Remote Similarity NPC80089
0.6543 Remote Similarity NPC324700
0.6543 Remote Similarity NPC243594
0.6543 Remote Similarity NPC224802
0.6543 Remote Similarity NPC171426
0.6538 Remote Similarity NPC475230
0.6538 Remote Similarity NPC310766
0.6528 Remote Similarity NPC306750
0.6528 Remote Similarity NPC253204
0.6522 Remote Similarity NPC18509
0.6522 Remote Similarity NPC74466
0.6517 Remote Similarity NPC99380
0.6517 Remote Similarity NPC168027
0.6517 Remote Similarity NPC185936
0.6517 Remote Similarity NPC476934
0.6512 Remote Similarity NPC83242
0.6512 Remote Similarity NPC471042
0.6506 Remote Similarity NPC260977
0.6506 Remote Similarity NPC285480
0.6506 Remote Similarity NPC12933
0.6506 Remote Similarity NPC50658
0.6506 Remote Similarity NPC30443
0.6506 Remote Similarity NPC254123

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329466 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
0.7237 Intermediate Similarity NPD3703 Phase 2
0.7027 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4789 Approved
0.6842 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6835 Remote Similarity NPD6116 Phase 1
0.68 Remote Similarity NPD3698 Phase 2
0.6712 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6711 Remote Similarity NPD4245 Approved
0.6711 Remote Similarity NPD4244 Approved
0.6709 Remote Similarity NPD6117 Approved
0.6667 Remote Similarity NPD5360 Phase 3
0.6667 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6623 Remote Similarity NPD5777 Approved
0.6582 Remote Similarity NPD3702 Approved
0.6543 Remote Similarity NPD6118 Approved
0.6543 Remote Similarity NPD6114 Approved
0.6543 Remote Similarity NPD6115 Approved
0.6543 Remote Similarity NPD6697 Approved
0.6522 Remote Similarity NPD4755 Approved
0.6506 Remote Similarity NPD1780 Approved
0.6506 Remote Similarity NPD1779 Approved
0.6456 Remote Similarity NPD6113 Clinical (unspecified phase)
0.641 Remote Similarity NPD4758 Discontinued
0.64 Remote Similarity NPD4224 Phase 2
0.6383 Remote Similarity NPD5286 Approved
0.6383 Remote Similarity NPD5285 Approved
0.6383 Remote Similarity NPD4700 Approved
0.6383 Remote Similarity NPD4696 Approved
0.6341 Remote Similarity NPD3671 Phase 1
0.6316 Remote Similarity NPD5223 Approved
0.625 Remote Similarity NPD5225 Approved
0.625 Remote Similarity NPD5224 Approved
0.625 Remote Similarity NPD4633 Approved
0.625 Remote Similarity NPD5211 Phase 2
0.625 Remote Similarity NPD5226 Approved
0.6237 Remote Similarity NPD5222 Approved
0.6237 Remote Similarity NPD4697 Phase 3
0.6237 Remote Similarity NPD5221 Approved
0.6237 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6203 Remote Similarity NPD6081 Approved
0.6186 Remote Similarity NPD5175 Approved
0.6186 Remote Similarity NPD5174 Approved
0.6186 Remote Similarity NPD4754 Approved
0.617 Remote Similarity NPD5173 Approved
0.6145 Remote Similarity NPD5364 Discontinued
0.6122 Remote Similarity NPD5141 Approved
0.6111 Remote Similarity NPD5328 Approved
0.61 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6067 Remote Similarity NPD3573 Approved
0.6061 Remote Similarity NPD7128 Approved
0.6061 Remote Similarity NPD5739 Approved
0.6061 Remote Similarity NPD4768 Approved
0.6061 Remote Similarity NPD6675 Approved
0.6061 Remote Similarity NPD4767 Approved
0.6061 Remote Similarity NPD6402 Approved
0.6026 Remote Similarity NPD229 Approved
0.6 Remote Similarity NPD5701 Approved
0.6 Remote Similarity NPD5697 Approved
0.6 Remote Similarity NPD4695 Discontinued
0.5978 Remote Similarity NPD6079 Approved
0.5955 Remote Similarity NPD3618 Phase 1
0.5952 Remote Similarity NPD3617 Approved
0.5949 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5128 Approved
0.5941 Remote Similarity NPD4730 Approved
0.5941 Remote Similarity NPD7320 Approved
0.5941 Remote Similarity NPD6011 Approved
0.5941 Remote Similarity NPD6899 Approved
0.5941 Remote Similarity NPD6881 Approved
0.5941 Remote Similarity NPD4729 Approved
0.5934 Remote Similarity NPD4753 Phase 2
0.5914 Remote Similarity NPD4202 Approved
0.5909 Remote Similarity NPD3668 Phase 3
0.5882 Remote Similarity NPD6013 Approved
0.5882 Remote Similarity NPD6373 Approved
0.5882 Remote Similarity NPD6012 Approved
0.5882 Remote Similarity NPD6372 Approved
0.5882 Remote Similarity NPD6014 Approved
0.5862 Remote Similarity NPD3667 Approved
0.5851 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5851 Remote Similarity NPD7900 Approved
0.5843 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5825 Remote Similarity NPD5247 Approved
0.5825 Remote Similarity NPD5251 Approved
0.5825 Remote Similarity NPD7102 Approved
0.5825 Remote Similarity NPD5169 Approved
0.5825 Remote Similarity NPD5248 Approved
0.5825 Remote Similarity NPD5250 Approved
0.5825 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5825 Remote Similarity NPD5135 Approved
0.5825 Remote Similarity NPD6883 Approved
0.5825 Remote Similarity NPD4634 Approved
0.5825 Remote Similarity NPD5249 Phase 3
0.5825 Remote Similarity NPD7290 Approved
0.5824 Remote Similarity NPD5737 Approved
0.5824 Remote Similarity NPD6672 Approved
0.5806 Remote Similarity NPD7515 Phase 2
0.5806 Remote Similarity NPD8035 Phase 2
0.5806 Remote Similarity NPD8034 Phase 2
0.5795 Remote Similarity NPD4788 Approved
0.5778 Remote Similarity NPD5279 Phase 3
0.5778 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5775 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5217 Approved
0.5769 Remote Similarity NPD5216 Approved
0.5769 Remote Similarity NPD6869 Approved
0.5769 Remote Similarity NPD6847 Approved
0.5769 Remote Similarity NPD5127 Approved
0.5769 Remote Similarity NPD6650 Approved
0.5769 Remote Similarity NPD6649 Approved
0.5769 Remote Similarity NPD6617 Approved
0.5769 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5769 Remote Similarity NPD8130 Phase 1
0.5769 Remote Similarity NPD5215 Approved
0.5743 Remote Similarity NPD6008 Approved
0.573 Remote Similarity NPD4197 Approved
0.573 Remote Similarity NPD3133 Approved
0.573 Remote Similarity NPD3665 Phase 1
0.573 Remote Similarity NPD4786 Approved
0.573 Remote Similarity NPD3666 Approved
0.5714 Remote Similarity NPD6882 Approved
0.5714 Remote Similarity NPD8297 Approved
0.5684 Remote Similarity NPD7748 Approved
0.5679 Remote Similarity NPD2686 Approved
0.5679 Remote Similarity NPD2687 Approved
0.5679 Remote Similarity NPD2254 Approved
0.567 Remote Similarity NPD7902 Approved
0.5667 Remote Similarity NPD5329 Approved
0.566 Remote Similarity NPD4632 Approved
0.5657 Remote Similarity NPD1700 Approved
0.5644 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5631 Remote Similarity NPD5168 Approved
0.5625 Remote Similarity NPD4629 Approved
0.5625 Remote Similarity NPD5210 Approved
0.5618 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5618 Remote Similarity NPD3669 Approved
0.5607 Remote Similarity NPD5167 Approved
0.5604 Remote Similarity NPD6098 Approved
0.5604 Remote Similarity NPD7146 Approved
0.5604 Remote Similarity NPD5330 Approved
0.5604 Remote Similarity NPD7521 Approved
0.5604 Remote Similarity NPD7334 Approved
0.5604 Remote Similarity NPD6684 Approved
0.5604 Remote Similarity NPD6409 Approved

Structure

External Identifiers

PubChem CID   54586212
ChEMBL   CHEMBL1784536
ZINC  

Physicochemical Properties

Molecular Weight:  252.14
ALogP:  1.1041
MLogP:  2.56
XLogP:  1.536
# Rotatable Bonds:  3
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  18

Download Data

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