Natural Product: NPC473213

Natural Product ID:  NPC473213
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H32O8
Standard InCHIKey:  UBODUOFSDMCSBE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h12,28,31-32H,7-11H2,1-6H3
Canonical SMILES:  CCCC(=O)C1=C(OC)C(C)C(=C(C1=O)CC1=C(O)C(C(=C(C1=O)C(=O)CCC)O)(C)C)O
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
NPO536 Dryopteris crassirhizoma Species Dryopteridaceae Eukaryota PMID[16870425]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT865 Individual Protein Fatty acid synthase Homo sapiens IC50 = 32600 nM 23270663

  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 NPC473213 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
0.9355 High Similarity NPC473210
0.9355 High Similarity NPC473211
0.9194 High Similarity NPC115752
0.9194 High Similarity NPC473212
0.9194 High Similarity NPC138056
0.9194 High Similarity NPC15130
0.9194 High Similarity NPC254449
0.7568 Intermediate Similarity NPC264178
0.7361 Intermediate Similarity NPC125578
0.7361 Intermediate Similarity NPC146376
0.7361 Intermediate Similarity NPC263382
0.7222 Intermediate Similarity NPC243272
0.7162 Intermediate Similarity NPC94743
0.7162 Intermediate Similarity NPC291062
0.7125 Intermediate Similarity NPC99308
0.7042 Intermediate Similarity NPC7029
0.7027 Intermediate Similarity NPC262673
0.7027 Intermediate Similarity NPC94488
0.7013 Intermediate Similarity NPC175079
0.6988 Remote Similarity NPC90287
0.6901 Remote Similarity NPC53109
0.6901 Remote Similarity NPC477707
0.6901 Remote Similarity NPC143168
0.6757 Remote Similarity NPC474619
0.675 Remote Similarity NPC30321
0.6712 Remote Similarity NPC98897
0.6709 Remote Similarity NPC26504
0.6707 Remote Similarity NPC189237
0.6667 Remote Similarity NPC477452
0.6667 Remote Similarity NPC147438
0.6667 Remote Similarity NPC477830
0.6623 Remote Similarity NPC223187
0.6622 Remote Similarity NPC16119
0.6588 Remote Similarity NPC472940
0.6588 Remote Similarity NPC472931
0.6588 Remote Similarity NPC8518
0.6588 Remote Similarity NPC263997
0.6588 Remote Similarity NPC132228
0.6575 Remote Similarity NPC474400
0.6575 Remote Similarity NPC34622
0.6556 Remote Similarity NPC14322
0.6552 Remote Similarity NPC143025
0.6543 Remote Similarity NPC478247
0.6543 Remote Similarity NPC478246
0.6515 Remote Similarity NPC477458
0.6512 Remote Similarity NPC203795
0.6506 Remote Similarity NPC475863
0.6506 Remote Similarity NPC470034
0.65 Remote Similarity NPC477708
0.65 Remote Similarity NPC1254
0.65 Remote Similarity NPC110725
0.65 Remote Similarity NPC92080
0.6486 Remote Similarity NPC61473
0.6463 Remote Similarity NPC475681
0.6447 Remote Similarity NPC134385
0.6438 Remote Similarity NPC57463
0.6438 Remote Similarity NPC151728
0.641 Remote Similarity NPC474539
0.6395 Remote Similarity NPC123319
0.6395 Remote Similarity NPC6185
0.6395 Remote Similarity NPC241512
0.6395 Remote Similarity NPC94531
0.6395 Remote Similarity NPC311702
0.6386 Remote Similarity NPC279667
0.6386 Remote Similarity NPC287063
0.6364 Remote Similarity NPC53454
0.6364 Remote Similarity NPC474060
0.6353 Remote Similarity NPC41539
0.6338 Remote Similarity NPC320421
0.6322 Remote Similarity NPC229717
0.631 Remote Similarity NPC44963
0.631 Remote Similarity NPC55869
0.631 Remote Similarity NPC478262
0.631 Remote Similarity NPC472684
0.6296 Remote Similarity NPC470525
0.6282 Remote Similarity NPC477455
0.6279 Remote Similarity NPC209882
0.6279 Remote Similarity NPC320801
0.6277 Remote Similarity NPC177680
0.6277 Remote Similarity NPC472729
0.6277 Remote Similarity NPC153776
0.6277 Remote Similarity NPC472730
0.6267 Remote Similarity NPC251118
0.6267 Remote Similarity NPC176215
0.6267 Remote Similarity NPC296436
0.6265 Remote Similarity NPC27817
0.625 Remote Similarity NPC476079
0.625 Remote Similarity NPC99909
0.625 Remote Similarity NPC103743
0.625 Remote Similarity NPC113370
0.6237 Remote Similarity NPC472675
0.6237 Remote Similarity NPC21681
0.6235 Remote Similarity NPC477271
0.6235 Remote Similarity NPC129080
0.6235 Remote Similarity NPC477270
0.6235 Remote Similarity NPC103486
0.6235 Remote Similarity NPC477269
0.6222 Remote Similarity NPC113393
0.622 Remote Similarity NPC473536
0.622 Remote Similarity NPC283087
0.6211 Remote Similarity NPC472728
0.6211 Remote Similarity NPC472727
0.6207 Remote Similarity NPC32037
0.6207 Remote Similarity NPC473038
0.6207 Remote Similarity NPC33881
0.6207 Remote Similarity NPC8571
0.6207 Remote Similarity NPC11711
0.6207 Remote Similarity NPC474680
0.6197 Remote Similarity NPC224103
0.6197 Remote Similarity NPC200831
0.6197 Remote Similarity NPC299369
0.6196 Remote Similarity NPC469819
0.6196 Remote Similarity NPC114162
0.6196 Remote Similarity NPC318332
0.619 Remote Similarity NPC2482
0.619 Remote Similarity NPC108955
0.619 Remote Similarity NPC74086
0.619 Remote Similarity NPC47653
0.619 Remote Similarity NPC26139
0.618 Remote Similarity NPC307298
0.618 Remote Similarity NPC475001
0.618 Remote Similarity NPC185059
0.6163 Remote Similarity NPC470015
0.6163 Remote Similarity NPC168188
0.6163 Remote Similarity NPC271784
0.6163 Remote Similarity NPC258985
0.6163 Remote Similarity NPC185256
0.6163 Remote Similarity NPC469561
0.6154 Remote Similarity NPC469914
0.6154 Remote Similarity NPC256846
0.6154 Remote Similarity NPC470036
0.6154 Remote Similarity NPC174167
0.6146 Remote Similarity NPC9878
0.6145 Remote Similarity NPC469996
0.6145 Remote Similarity NPC23778
0.6145 Remote Similarity NPC189485
0.6145 Remote Similarity NPC74410
0.6136 Remote Similarity NPC477479
0.6136 Remote Similarity NPC477478
0.6133 Remote Similarity NPC4638
0.6133 Remote Similarity NPC150162
0.6129 Remote Similarity NPC777
0.6118 Remote Similarity NPC474085
0.6118 Remote Similarity NPC225515
0.6118 Remote Similarity NPC116797
0.6118 Remote Similarity NPC475833
0.6111 Remote Similarity NPC27610
0.6111 Remote Similarity NPC56905
0.6098 Remote Similarity NPC180886
0.6092 Remote Similarity NPC31086
0.6087 Remote Similarity NPC263780
0.6081 Remote Similarity NPC97322
0.6076 Remote Similarity NPC173321
0.6071 Remote Similarity NPC19900
0.6071 Remote Similarity NPC90965
0.6071 Remote Similarity NPC254996
0.6071 Remote Similarity NPC192329
0.6071 Remote Similarity NPC268502
0.6067 Remote Similarity NPC220930
0.6067 Remote Similarity NPC470523
0.6067 Remote Similarity NPC272039
0.6064 Remote Similarity NPC472733
0.6064 Remote Similarity NPC472734
0.6064 Remote Similarity NPC125622
0.6049 Remote Similarity NPC470299
0.6047 Remote Similarity NPC469325
0.6047 Remote Similarity NPC327969
0.6047 Remote Similarity NPC321289
0.6044 Remote Similarity NPC469464
0.6044 Remote Similarity NPC252737
0.6044 Remote Similarity NPC476369
0.6044 Remote Similarity NPC475823
0.6044 Remote Similarity NPC474209
0.6044 Remote Similarity NPC476437
0.6027 Remote Similarity NPC473494
0.6026 Remote Similarity NPC260474
0.6026 Remote Similarity NPC188292
0.6026 Remote Similarity NPC87141
0.6026 Remote Similarity NPC155198
0.6024 Remote Similarity NPC266124
0.6024 Remote Similarity NPC471061
0.6023 Remote Similarity NPC92633
0.6023 Remote Similarity NPC478245
0.6023 Remote Similarity NPC197823
0.6023 Remote Similarity NPC68303
0.6023 Remote Similarity NPC255174
0.6023 Remote Similarity NPC470177
0.6023 Remote Similarity NPC307126
0.6023 Remote Similarity NPC307112
0.6022 Remote Similarity NPC477439
0.6 Remote Similarity NPC32285
0.6 Remote Similarity NPC472731
0.6 Remote Similarity NPC478261
0.6 Remote Similarity NPC478260
0.6 Remote Similarity NPC181204
0.6 Remote Similarity NPC476796
0.6 Remote Similarity NPC470524
0.6 Remote Similarity NPC317796
0.6 Remote Similarity NPC471694
0.6 Remote Similarity NPC18955

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473213 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
0.7324 Intermediate Similarity NPD3704 Approved
0.6901 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6866 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6622 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6486 Remote Similarity NPD7341 Phase 2
0.642 Remote Similarity NPD4756 Discovery
0.6197 Remote Similarity NPD8779 Phase 3
0.619 Remote Similarity NPD4695 Discontinued
0.619 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6184 Remote Similarity NPD7331 Phase 2
0.5952 Remote Similarity NPD3617 Approved
0.5934 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5854 Remote Similarity NPD5733 Approved
0.5802 Remote Similarity NPD5276 Approved
0.575 Remote Similarity NPD4137 Phase 3
0.5684 Remote Similarity NPD5282 Discontinued
0.5679 Remote Similarity NPD4691 Approved
0.5679 Remote Similarity NPD4747 Approved
0.5663 Remote Similarity NPD4687 Approved
0.5638 Remote Similarity NPD6411 Approved
0.5625 Remote Similarity NPD5695 Phase 3
0.5625 Remote Similarity NPD5210 Approved
0.5625 Remote Similarity NPD4629 Approved
0.5618 Remote Similarity NPD7154 Phase 3
0.5612 Remote Similarity NPD5696 Approved
0.5604 Remote Similarity NPD5279 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3706854
ZINC  

Physicochemical Properties

Molecular Weight:  460.21
ALogP:  -1.0543
MLogP:  3.33
XLogP:  2.375
# Rotatable Bonds:  18
Polar Surface Area:  138.2
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  33

Download Data

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