Natural Product: NPC82446

Natural Product ID:  NPC82446
Common Name:   (4Z)-Lachnophyllum Lactone
IUPAC Name:   (5Z)-5-hex-2-ynylidenefuran-2-one
Synonyms:  
Molecular Formula:   C10H10O2
Standard InCHIKey:  PHUPYFCPQIPDNQ-TWGQIWQCSA-N
Standard InCHI:  InChI=1S/C10H10O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h6-8H,2-3H2,1H3/b9-6-
Canonical SMILES:  CCCC#C/C=C/1OC(=O)C=C1
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
NPO12088 Conyza canadensis Species Asteraceae Eukaryota PMID[22612410]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT854 Organism Lemna paucicostata Lemna paucicostata IC50 = 104000 nM 24411199
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides IZ = 0.58 mm 24411199
NPT2241 Organism Glomerella acutata Glomerella acutata IZ = 0.75 mm 24411199
NPT851 Organism Colletotrichum fragariae Colletotrichum fragariae IZ = 0.3 mm Open TG-GATES in vivo data: Biochemistry

  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 NPC82446 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
0.9778 High Similarity NPC90490
0.7826 Intermediate Similarity NPC250954
0.7826 Intermediate Similarity NPC297608
0.78 Intermediate Similarity NPC128520
0.7368 Intermediate Similarity NPC189700
0.7234 Intermediate Similarity NPC147824
0.7222 Intermediate Similarity NPC191643
0.7119 Intermediate Similarity NPC130953
0.7111 Intermediate Similarity NPC122676
0.7083 Intermediate Similarity NPC281043
0.7018 Intermediate Similarity NPC86948
0.7018 Intermediate Similarity NPC150717
0.6981 Remote Similarity NPC126184
0.6981 Remote Similarity NPC234084
0.6949 Remote Similarity NPC133600
0.6842 Remote Similarity NPC173157
0.6833 Remote Similarity NPC98519
0.6724 Remote Similarity NPC221763
0.6719 Remote Similarity NPC225272
0.6667 Remote Similarity NPC218486
0.6667 Remote Similarity NPC159535
0.6667 Remote Similarity NPC103560
0.6667 Remote Similarity NPC151761
0.6667 Remote Similarity NPC63598
0.6613 Remote Similarity NPC474723
0.6613 Remote Similarity NPC474729
0.6552 Remote Similarity NPC474913
0.6552 Remote Similarity NPC478117
0.6471 Remote Similarity NPC102879
0.6471 Remote Similarity NPC41409
0.6441 Remote Similarity NPC245002
0.6406 Remote Similarity NPC220766
0.6379 Remote Similarity NPC151923
0.6379 Remote Similarity NPC269615
0.6379 Remote Similarity NPC9611
0.6349 Remote Similarity NPC179087
0.6349 Remote Similarity NPC132243
0.6349 Remote Similarity NPC44343
0.6349 Remote Similarity NPC473737
0.6349 Remote Similarity NPC210303
0.6333 Remote Similarity NPC474825
0.6316 Remote Similarity NPC106531
0.6308 Remote Similarity NPC191233
0.629 Remote Similarity NPC309408
0.6269 Remote Similarity NPC470693
0.625 Remote Similarity NPC275316
0.625 Remote Similarity NPC65353
0.625 Remote Similarity NPC15789
0.625 Remote Similarity NPC9290
0.623 Remote Similarity NPC474084
0.62 Remote Similarity NPC298413
0.617 Remote Similarity NPC63354
0.6154 Remote Similarity NPC57923
0.6122 Remote Similarity NPC107877
0.6119 Remote Similarity NPC287705
0.6094 Remote Similarity NPC2328
0.6066 Remote Similarity NPC223804
0.6042 Remote Similarity NPC60675
0.6042 Remote Similarity NPC297363
0.6032 Remote Similarity NPC429928
0.6 Remote Similarity NPC475618
0.5965 Remote Similarity NPC236338
0.5965 Remote Similarity NPC221467
0.5909 Remote Similarity NPC476589
0.5909 Remote Similarity NPC471566
0.5909 Remote Similarity NPC471565
0.5909 Remote Similarity NPC133904
0.5909 Remote Similarity NPC182794
0.5902 Remote Similarity NPC230296
0.5882 Remote Similarity NPC200147
0.5873 Remote Similarity NPC474588
0.5873 Remote Similarity NPC222852
0.5873 Remote Similarity NPC474711
0.5846 Remote Similarity NPC475073
0.5833 Remote Similarity NPC478120
0.5818 Remote Similarity NPC270706
0.5806 Remote Similarity NPC471279
0.5806 Remote Similarity NPC212730
0.5806 Remote Similarity NPC471277
0.5806 Remote Similarity NPC265551
0.5806 Remote Similarity NPC472445
0.5797 Remote Similarity NPC232812
0.5781 Remote Similarity NPC299730
0.5775 Remote Similarity NPC252503
0.5769 Remote Similarity NPC8270
0.5738 Remote Similarity NPC25038
0.5714 Remote Similarity NPC64234
0.5714 Remote Similarity NPC37929
0.5714 Remote Similarity NPC128280
0.5694 Remote Similarity NPC470686
0.5692 Remote Similarity NPC15193
0.5692 Remote Similarity NPC151648
0.5672 Remote Similarity NPC131174
0.5672 Remote Similarity NPC471556
0.5672 Remote Similarity NPC470688
0.566 Remote Similarity NPC159773
0.566 Remote Similarity NPC221250
0.5652 Remote Similarity NPC477117
0.5652 Remote Similarity NPC323552
0.5652 Remote Similarity NPC474823
0.5645 Remote Similarity NPC51846
0.5634 Remote Similarity NPC186531
0.5625 Remote Similarity NPC302564
0.5625 Remote Similarity NPC159650
0.5625 Remote Similarity NPC22897
0.5625 Remote Similarity NPC97570
0.5625 Remote Similarity NPC474267
0.5625 Remote Similarity NPC286189
0.5616 Remote Similarity NPC478195
0.5616 Remote Similarity NPC478193
0.5616 Remote Similarity NPC478192
0.5616 Remote Similarity NPC478196
0.5616 Remote Similarity NPC478194
0.5616 Remote Similarity NPC478191
0.56 Remote Similarity NPC308418

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC82446 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
0.6809 Remote Similarity NPD9115 Approved

Structure

External Identifiers

PubChem CID   5380634
ChEMBL   CHEMBL2229361
ZINC  

Physicochemical Properties

Molecular Weight:  162.07
ALogP:  0.7071
MLogP:  2.34
XLogP:  2.561
# Rotatable Bonds:  2
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  12

Download Data

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