Natural Product: NPC273614

Natural Product ID:  NPC273614
Common Name:   Timuramide D
IUPAC Name:   (E)-6-[(2-hydroxy-2-methylpropyl)amino]-6-oxohex-4-enoic acid
Synonyms:   timuramide D
Molecular Formula:   C10H17NO4
Standard InCHIKey:  XYDYMSMAHZGLLS-HWKANZROSA-N
Standard InCHI:  InChI=1S/C10H17NO4/c1-10(2,15)7-11-8(12)5-3-4-6-9(13)14/h3,5,15H,4,6-7H2,1-2H3,(H,11,12)(H,13,14)/b5-3+
Canonical SMILES:  OC(=O)CC/C=C/C(=NCC(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
NPO33007 nepalese zanthoxylum armatum Species NA NA pericarp PMID[23268719]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 70 % 1875335
NPT2 Others Unspecified GI = 42 % 19231864

  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 NPC273614 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
0.8548 High Similarity NPC77891
0.7833 Intermediate Similarity NPC44193
0.7833 Intermediate Similarity NPC14234
0.7833 Intermediate Similarity NPC132669
0.7833 Intermediate Similarity NPC184014
0.7833 Intermediate Similarity NPC246519
0.7833 Intermediate Similarity NPC269800
0.7692 Intermediate Similarity NPC471023
0.7656 Intermediate Similarity NPC6795
0.7536 Intermediate Similarity NPC471022
0.75 Intermediate Similarity NPC150505
0.75 Intermediate Similarity NPC74617
0.7344 Intermediate Similarity NPC325734
0.7313 Intermediate Similarity NPC253468
0.7313 Intermediate Similarity NPC235311
0.7231 Intermediate Similarity NPC312826
0.7188 Intermediate Similarity NPC245650
0.7167 Intermediate Similarity NPC267692
0.7167 Intermediate Similarity NPC307435
0.7164 Intermediate Similarity NPC182758
0.7143 Intermediate Similarity NPC249713
0.7101 Intermediate Similarity NPC187315
0.7049 Intermediate Similarity NPC54542
0.7049 Intermediate Similarity NPC243539
0.7049 Intermediate Similarity NPC304223
0.7049 Intermediate Similarity NPC145032
0.7049 Intermediate Similarity NPC267340
0.6935 Remote Similarity NPC195986
0.6912 Remote Similarity NPC316674
0.6825 Remote Similarity NPC303672
0.6825 Remote Similarity NPC119655
0.6806 Remote Similarity NPC45060
0.6806 Remote Similarity NPC280065
0.6719 Remote Similarity NPC123669
0.6719 Remote Similarity NPC124382
0.6719 Remote Similarity NPC167759
0.6719 Remote Similarity NPC13011
0.6719 Remote Similarity NPC163912
0.6719 Remote Similarity NPC56028
0.6719 Remote Similarity NPC305288
0.6719 Remote Similarity NPC474127
0.6618 Remote Similarity NPC130807
0.6615 Remote Similarity NPC471991
0.6615 Remote Similarity NPC471992
0.6615 Remote Similarity NPC297020
0.6615 Remote Similarity NPC273023
0.6548 Remote Similarity NPC320057
0.6515 Remote Similarity NPC261158
0.6515 Remote Similarity NPC306420
0.6515 Remote Similarity NPC477049
0.6515 Remote Similarity NPC24216
0.6515 Remote Similarity NPC104138
0.6479 Remote Similarity NPC477525
0.6441 Remote Similarity NPC270796
0.6429 Remote Similarity NPC472614
0.6393 Remote Similarity NPC87137
0.6389 Remote Similarity NPC129995
0.6389 Remote Similarity NPC315141
0.6364 Remote Similarity NPC476923
0.6364 Remote Similarity NPC242930
0.6349 Remote Similarity NPC221467
0.6316 Remote Similarity NPC314678
0.6286 Remote Similarity NPC29468
0.625 Remote Similarity NPC43053
0.6232 Remote Similarity NPC86789
0.6232 Remote Similarity NPC322186
0.6232 Remote Similarity NPC318306
0.623 Remote Similarity NPC117572
0.6222 Remote Similarity NPC175614
0.6176 Remote Similarity NPC283502
0.6167 Remote Similarity NPC470439
0.6167 Remote Similarity NPC86121
0.6133 Remote Similarity NPC103712
0.6133 Remote Similarity NPC291196
0.6087 Remote Similarity NPC321030
0.6087 Remote Similarity NPC471619
0.6067 Remote Similarity NPC472613
0.6066 Remote Similarity NPC304079
0.6066 Remote Similarity NPC6963
0.6056 Remote Similarity NPC263732
0.6056 Remote Similarity NPC324077
0.6056 Remote Similarity NPC55376
0.6049 Remote Similarity NPC313911
0.6049 Remote Similarity NPC314854
0.6049 Remote Similarity NPC157173
0.6032 Remote Similarity NPC91044
0.6032 Remote Similarity NPC91495
0.6026 Remote Similarity NPC288086
0.6024 Remote Similarity NPC474312
0.6 Remote Similarity NPC178586
0.6 Remote Similarity NPC329003
0.6 Remote Similarity NPC322002
0.6 Remote Similarity NPC325550
0.6 Remote Similarity NPC329249
0.6 Remote Similarity NPC48162
0.6 Remote Similarity NPC326524
0.5972 Remote Similarity NPC477106
0.5938 Remote Similarity NPC267110
0.5938 Remote Similarity NPC149821
0.5938 Remote Similarity NPC5413
0.5926 Remote Similarity NPC474833
0.5915 Remote Similarity NPC305973
0.5915 Remote Similarity NPC327112
0.5915 Remote Similarity NPC309877
0.5915 Remote Similarity NPC328311
0.5909 Remote Similarity NPC151919
0.5875 Remote Similarity NPC263266
0.5873 Remote Similarity NPC308331
0.5873 Remote Similarity NPC42304
0.5857 Remote Similarity NPC34416
0.5857 Remote Similarity NPC254095
0.5857 Remote Similarity NPC210999
0.5854 Remote Similarity NPC471597
0.5846 Remote Similarity NPC59051
0.5846 Remote Similarity NPC27264
0.5844 Remote Similarity NPC315199
0.5844 Remote Similarity NPC4706
0.5833 Remote Similarity NPC221250
0.5833 Remote Similarity NPC113293
0.5811 Remote Similarity NPC478099
0.5811 Remote Similarity NPC478098
0.5797 Remote Similarity NPC324224
0.5797 Remote Similarity NPC472808
0.5789 Remote Similarity NPC474812
0.5781 Remote Similarity NPC207292
0.5769 Remote Similarity NPC469836
0.5761 Remote Similarity NPC233273
0.5761 Remote Similarity NPC50902
0.5761 Remote Similarity NPC205546
0.5758 Remote Similarity NPC28205
0.5758 Remote Similarity NPC148056
0.5758 Remote Similarity NPC15129
0.5753 Remote Similarity NPC68110
0.575 Remote Similarity NPC476924
0.575 Remote Similarity NPC122471
0.5738 Remote Similarity NPC51758
0.5738 Remote Similarity NPC67761
0.5738 Remote Similarity NPC209279
0.5738 Remote Similarity NPC88079
0.5738 Remote Similarity NPC108494
0.5738 Remote Similarity NPC180871
0.5738 Remote Similarity NPC68889
0.5738 Remote Similarity NPC194586
0.5735 Remote Similarity NPC322461
0.5735 Remote Similarity NPC137538
0.5733 Remote Similarity NPC314221
0.5733 Remote Similarity NPC60424
0.573 Remote Similarity NPC159369
0.573 Remote Similarity NPC39290
0.5714 Remote Similarity NPC135863
0.5714 Remote Similarity NPC472445
0.5714 Remote Similarity NPC249850
0.5714 Remote Similarity NPC323436
0.5714 Remote Similarity NPC236208
0.5714 Remote Similarity NPC293437
0.5696 Remote Similarity NPC238948
0.5696 Remote Similarity NPC12815
0.5696 Remote Similarity NPC215745
0.5692 Remote Similarity NPC135698
0.5692 Remote Similarity NPC122212
0.5692 Remote Similarity NPC15912
0.5692 Remote Similarity NPC137419
0.5676 Remote Similarity NPC470320
0.5672 Remote Similarity NPC477779
0.5672 Remote Similarity NPC281245
0.5672 Remote Similarity NPC92114
0.5667 Remote Similarity NPC56917
0.5667 Remote Similarity NPC8270
0.5658 Remote Similarity NPC98329
0.5658 Remote Similarity NPC49863
0.5658 Remote Similarity NPC7392
0.5658 Remote Similarity NPC478097
0.5658 Remote Similarity NPC99619
0.5658 Remote Similarity NPC26500
0.5658 Remote Similarity NPC25298
0.5652 Remote Similarity NPC52264
0.5641 Remote Similarity NPC133700
0.5634 Remote Similarity NPC223679
0.5625 Remote Similarity NPC469835
0.5616 Remote Similarity NPC26810
0.5612 Remote Similarity NPC74035
0.5606 Remote Similarity NPC474460
0.5604 Remote Similarity NPC319473
0.56 Remote Similarity NPC320642
0.56 Remote Similarity NPC323045
0.56 Remote Similarity NPC317881
0.56 Remote Similarity NPC318420
0.56 Remote Similarity NPC255863
0.56 Remote Similarity NPC273600
0.56 Remote Similarity NPC471566
0.56 Remote Similarity NPC326268
0.56 Remote Similarity NPC136164
0.56 Remote Similarity NPC323477
0.56 Remote Similarity NPC245947
0.56 Remote Similarity NPC471565

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC273614 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
0.6588 Remote Similarity NPD6095 Approved
0.6588 Remote Similarity NPD6094 Approved
0.6441 Remote Similarity NPD5326 Phase 3
0.623 Remote Similarity NPD39 Approved
0.623 Remote Similarity NPD4222 Approved
0.6167 Remote Similarity NPD9411 Phase 1
0.5968 Remote Similarity NPD860 Phase 2
0.5938 Remote Similarity NPD4220 Pre-registration
0.5938 Remote Similarity NPD3173 Approved
0.5915 Remote Similarity NPD4246 Clinical (unspecified phase)
0.587 Remote Similarity NPD4228 Discovery
0.5806 Remote Similarity NPD9658 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5658 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5658 Remote Similarity NPD9137 Approved
0.5634 Remote Similarity NPD9368 Phase 2

Structure

External Identifiers

PubChem CID   71524340
ChEMBL   CHEMBL2335712
ZINC  

Physicochemical Properties

Molecular Weight:  215.12
ALogP:  0.2513
MLogP:  2.01
XLogP:  0.271
# Rotatable Bonds:  11
Polar Surface Area:  90.12
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  15

Download Data

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