Natural Product: NPC187315

Natural Product ID:  NPC187315
Common Name:   Lanyuamide I
IUPAC Name:   (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide
Synonyms:   Lanyuamide I
Molecular Formula:   C18H31NO2
Standard InCHIKey:  AMCKSJIHLFXIIZ-DQBULIGTSA-N
Standard InCHI:  InChI=1S/C18H31NO2/c1-4-5-6-9-12-17(20)13-10-7-8-11-14-18(21)19-15-16(2)3/h7-8,11,14,16H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+
Canonical SMILES:  CCCCCCC(=O)CC/C=C/C=C/C(=NCC(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
NPO21390 Zanthoxylum integrifoliolum Species Rutaceae Eukaryota fruit Lanyu Island, Taitung County, Taiwan PMID[10395498]
NPO21390 Zanthoxylum integrifoliolum Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus Activity = 28.6 % 10395498
NPT177 Tissue Aorta Rattus norvegicus Activity = 47.6 % 10395498
NPT177 Tissue Aorta Rattus norvegicus Activity = 82 % 10395498
NPT177 Tissue Aorta Rattus norvegicus Activity = 77.1 % 10395498
NPT177 Tissue Aorta Rattus norvegicus Activity = 100 % 10395498
NPT177 Tissue Aorta Rattus norvegicus Activity = 45.5 % 10395498
NPT2 Others Unspecified Activity = 8.9 % 10395498
NPT2 Others Unspecified Activity = 75.7 % 10395498
NPT2 Others Unspecified Activity = 80.4 % 10395498
NPT2 Others Unspecified Activity = 0 % 10395498
NPT2 Others Unspecified Activity = 15.6 % 10395498
NPT2 Others Unspecified Activity = 2.7 % 10395498
NPT2 Others Unspecified Activity = 20 % 10395498
NPT2 Others Unspecified Activity = 78.6 % 10395498

  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 NPC187315 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
0.918 High Similarity NPC6795
0.8361 Intermediate Similarity NPC273023
0.8226 Intermediate Similarity NPC261158
0.8226 Intermediate Similarity NPC24216
0.8226 Intermediate Similarity NPC104138
0.8226 Intermediate Similarity NPC306420
0.8125 Intermediate Similarity NPC312826
0.8065 Intermediate Similarity NPC297020
0.8033 Intermediate Similarity NPC303672
0.7869 Intermediate Similarity NPC195986
0.7812 Intermediate Similarity NPC245650
0.7705 Intermediate Similarity NPC243539
0.7705 Intermediate Similarity NPC267340
0.7705 Intermediate Similarity NPC145032
0.7705 Intermediate Similarity NPC54542
0.7705 Intermediate Similarity NPC304223
0.7619 Intermediate Similarity NPC44193
0.7619 Intermediate Similarity NPC246519
0.7619 Intermediate Similarity NPC132669
0.7619 Intermediate Similarity NPC184014
0.7619 Intermediate Similarity NPC14234
0.7619 Intermediate Similarity NPC269800
0.7568 Intermediate Similarity NPC476923
0.7541 Intermediate Similarity NPC307435
0.7541 Intermediate Similarity NPC267692
0.75 Intermediate Similarity NPC471991
0.75 Intermediate Similarity NPC471992
0.746 Intermediate Similarity NPC119655
0.7344 Intermediate Similarity NPC56028
0.7344 Intermediate Similarity NPC305288
0.7344 Intermediate Similarity NPC167759
0.7344 Intermediate Similarity NPC163912
0.7123 Intermediate Similarity NPC471022
0.7121 Intermediate Similarity NPC477049
0.7101 Intermediate Similarity NPC273614
0.7077 Intermediate Similarity NPC13011
0.7077 Intermediate Similarity NPC123669
0.7077 Intermediate Similarity NPC124382
0.7042 Intermediate Similarity NPC477525
0.7 Intermediate Similarity NPC77891
0.7 Intermediate Similarity NPC471023
0.7 Intermediate Similarity NPC182758
0.6957 Remote Similarity NPC130807
0.6866 Remote Similarity NPC4881
0.6757 Remote Similarity NPC249713
0.6714 Remote Similarity NPC309877
0.6712 Remote Similarity NPC315141
0.6712 Remote Similarity NPC129995
0.6667 Remote Similarity NPC235311
0.6667 Remote Similarity NPC61177
0.6667 Remote Similarity NPC150162
0.6667 Remote Similarity NPC253468
0.6622 Remote Similarity NPC278895
0.662 Remote Similarity NPC29468
0.662 Remote Similarity NPC324077
0.6615 Remote Similarity NPC477458
0.6571 Remote Similarity NPC150505
0.6571 Remote Similarity NPC74617
0.6512 Remote Similarity NPC472614
0.6447 Remote Similarity NPC45060
0.6447 Remote Similarity NPC280065
0.641 Remote Similarity NPC314678
0.6406 Remote Similarity NPC91044
0.6351 Remote Similarity NPC255863
0.6351 Remote Similarity NPC245947
0.6351 Remote Similarity NPC136164
0.6338 Remote Similarity NPC473652
0.6301 Remote Similarity NPC316674
0.625 Remote Similarity NPC251042
0.625 Remote Similarity NPC174447
0.625 Remote Similarity NPC122521
0.6234 Remote Similarity NPC143396
0.6234 Remote Similarity NPC103712
0.6234 Remote Similarity NPC291196
0.6197 Remote Similarity NPC325734
0.619 Remote Similarity NPC477582
0.6164 Remote Similarity NPC40082
0.6154 Remote Similarity NPC472613
0.6145 Remote Similarity NPC314854
0.6145 Remote Similarity NPC313911
0.6143 Remote Similarity NPC18951
0.6143 Remote Similarity NPC477201
0.6143 Remote Similarity NPC325977
0.6133 Remote Similarity NPC318420
0.6133 Remote Similarity NPC326268
0.6129 Remote Similarity NPC175614
0.6125 Remote Similarity NPC227396
0.6118 Remote Similarity NPC477583
0.6118 Remote Similarity NPC477581
0.6111 Remote Similarity NPC326524
0.6111 Remote Similarity NPC329003
0.6111 Remote Similarity NPC325550
0.6081 Remote Similarity NPC190049
0.6076 Remote Similarity NPC469836
0.6076 Remote Similarity NPC288667
0.6064 Remote Similarity NPC265662
0.6061 Remote Similarity NPC267110
0.6056 Remote Similarity NPC225929
0.6053 Remote Similarity NPC308294
0.6053 Remote Similarity NPC142423
0.6044 Remote Similarity NPC314500
0.6027 Remote Similarity NPC327112
0.6026 Remote Similarity NPC236208
0.6024 Remote Similarity NPC469492
0.6 Remote Similarity NPC470320
0.6 Remote Similarity NPC242930
0.5972 Remote Similarity NPC210999
0.5972 Remote Similarity NPC321030
0.597 Remote Similarity NPC474391
0.5957 Remote Similarity NPC247220
0.5952 Remote Similarity NPC471597
0.5952 Remote Similarity NPC469517
0.5946 Remote Similarity NPC64985
0.5946 Remote Similarity NPC168407
0.5942 Remote Similarity NPC217188
0.5942 Remote Similarity NPC284224
0.5942 Remote Similarity NPC45283
0.5942 Remote Similarity NPC294548
0.5942 Remote Similarity NPC1813
0.5942 Remote Similarity NPC139029
0.5942 Remote Similarity NPC36061
0.593 Remote Similarity NPC14326
0.5926 Remote Similarity NPC469835
0.5926 Remote Similarity NPC288086
0.5921 Remote Similarity NPC133904
0.5909 Remote Similarity NPC3210
0.5897 Remote Similarity NPC96272
0.589 Remote Similarity NPC106851
0.589 Remote Similarity NPC274927
0.5882 Remote Similarity NPC476290
0.5882 Remote Similarity NPC19497
0.5875 Remote Similarity NPC133253
0.5867 Remote Similarity NPC477707
0.5862 Remote Similarity NPC477584
0.5857 Remote Similarity NPC189677
0.5857 Remote Similarity NPC322461
0.5857 Remote Similarity NPC25417
0.5857 Remote Similarity NPC261831
0.5857 Remote Similarity NPC154245
0.5857 Remote Similarity NPC88966
0.5857 Remote Similarity NPC87564
0.5857 Remote Similarity NPC63396
0.5857 Remote Similarity NPC281972
0.5857 Remote Similarity NPC85813
0.5857 Remote Similarity NPC32467
0.5857 Remote Similarity NPC424
0.5857 Remote Similarity NPC202850
0.5857 Remote Similarity NPC290563
0.5857 Remote Similarity NPC6095
0.5854 Remote Similarity NPC476346
0.5851 Remote Similarity NPC469739
0.5846 Remote Similarity NPC239754
0.5833 Remote Similarity NPC193975
0.5821 Remote Similarity NPC145311
0.5816 Remote Similarity NPC152718
0.5816 Remote Similarity NPC226509
0.5811 Remote Similarity NPC328311
0.5811 Remote Similarity NPC235242
0.5802 Remote Similarity NPC130016
0.5802 Remote Similarity NPC180015
0.5802 Remote Similarity NPC56747
0.5802 Remote Similarity NPC109576
0.5802 Remote Similarity NPC153660
0.58 Remote Similarity NPC230677
0.5797 Remote Similarity NPC281245
0.5797 Remote Similarity NPC92114
0.5797 Remote Similarity NPC208638
0.5789 Remote Similarity NPC226592
0.5784 Remote Similarity NPC133729
0.5783 Remote Similarity NPC279537
0.5783 Remote Similarity NPC263266
0.5781 Remote Similarity NPC470439
0.5781 Remote Similarity NPC86121
0.5775 Remote Similarity NPC228473
0.5775 Remote Similarity NPC275472
0.5769 Remote Similarity NPC476269
0.5769 Remote Similarity NPC99619
0.5769 Remote Similarity NPC26500
0.5761 Remote Similarity NPC473056
0.5758 Remote Similarity NPC163751
0.5758 Remote Similarity NPC110234
0.5758 Remote Similarity NPC262558
0.5758 Remote Similarity NPC100380
0.5758 Remote Similarity NPC8610
0.5758 Remote Similarity NPC474563
0.5758 Remote Similarity NPC44363
0.5753 Remote Similarity NPC34416
0.5747 Remote Similarity NPC469838
0.5747 Remote Similarity NPC469804
0.5747 Remote Similarity NPC469806
0.5747 Remote Similarity NPC469799
0.5747 Remote Similarity NPC469833
0.5747 Remote Similarity NPC469805
0.5745 Remote Similarity NPC116930
0.5743 Remote Similarity NPC45033
0.5738 Remote Similarity NPC92863
0.5738 Remote Similarity NPC155880
0.5735 Remote Similarity NPC59051
0.5735 Remote Similarity NPC224227
0.5714 Remote Similarity NPC86917

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC187315 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
0.6444 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6027 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5942 Remote Similarity NPD3172 Approved
0.5857 Remote Similarity NPD3196 Approved
0.5857 Remote Similarity NPD4266 Approved
0.5857 Remote Similarity NPD3194 Approved
0.5857 Remote Similarity NPD3195 Phase 2
0.5821 Remote Similarity NPD4220 Pre-registration
0.5714 Remote Similarity NPD4756 Discovery
0.5658 Remote Similarity NPD3210 Clinical (unspecified phase)
0.5652 Remote Similarity NPD29 Approved
0.5652 Remote Similarity NPD28 Approved
0.5647 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5612 Remote Similarity NPD6404 Discontinued
0.5606 Remote Similarity NPD860 Phase 2

Structure

External Identifiers

PubChem CID   5318939
ChEMBL   CHEMBL480491
ZINC  

Physicochemical Properties

Molecular Weight:  293.24
ALogP:  0.0683
MLogP:  3.11
XLogP:  4.669
# Rotatable Bonds:  16
Polar Surface Area:  49.66
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  21

Download Data

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Structure MOL file  
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