Natural Product: NPC297608

Natural Product ID:  NPC297608
Common Name:   (2Z,8Z)-Matricaria Acid Methyl Ester
IUPAC Name:   methyl (2Z,8Z)-deca-2,8-dien-4,6-diynoate
Synonyms:  
Molecular Formula:   C11H10O2
Standard InCHIKey:  GXPDZHWFJLUFGY-RTAKVZRXSA-N
Standard InCHI:  InChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3-,10-9-
Canonical SMILES:  C/C=CC#CC#C/C=CC(=O)OC
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 TCM_Taiwan*
NPO21831.2 Solidago virgaurea l. var. leiocarpa (benth.) a. gray Varieties Asteraceae Eukaryota TCM_Taiwan*
NPO2493 Parmelia reptans Species Parmeliaceae Eukaryota UNPD*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria UNPD*
NPO15632 Podopetalum ormondi NA NA NA UNPD*
NPO16926 Thymbra capitata Species Lamiaceae Eukaryota UNPD*
NPO10576 Forsythia europaea Species Oleaceae Eukaryota UNPD*
NPO169 Ruta tuberculata Species Rutaceae Eukaryota UNPD*
NPO27862 Chelonanthus alatus Species Gentianaceae Eukaryota UNPD*
NPO9790 Anthemis austriaca Species Asteraceae Eukaryota UNPD*
NPO7658 Chrysanthemum caucasicum Species Asteraceae Eukaryota UNPD*
NPO9043 Salvia breviflora Species Lamiaceae Eukaryota UNPD*
NPO12129 Fagara mantchurica NA NA NA UNPD*
NPO12360 Pithecellobium jiringa Species Fabaceae Eukaryota UNPD*
NPO10329 Stachys tomentosa Species Lamiaceae Eukaryota UNPD*
NPO9993 Streptomyces aurantiogriseus Species Streptomycetaceae Bacteria UNPD*
NPO25641 Peltophorum vogelianum Species Fabaceae Eukaryota UNPD*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota UNPD*
NPO7125 Hintonia latiflora Species Rubiaceae Eukaryota UNPD*
NPO9665 Dehaasia longipedicellata Species Lauraceae Eukaryota UNPD*
NPO2022 Ephemerantha lonchophylla NA NA NA UNPD*
NPO2380 Solidago decurrens Species Asteraceae Eukaryota UNPD*
NPO8425 Gymnosporia rothiana Species Celastraceae Eukaryota UNPD*
NPO452 Arnica acaulis Species Asteraceae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota PMID[22612410]
NPO3288 Microcystis aeruginosa Species Microcystaceae Bacteria UNPD*
NPO9371 Pilocarpus organensis Species Rutaceae Eukaryota UNPD*
NPO6202 Aglaomorpha coronans Species Polypodiaceae Eukaryota UNPD*
NPO11419 Pityrodia jamesii Species Lamiaceae Eukaryota UNPD*
NPO17138 Lethasterias nanimensis Species Asteriidae Eukaryota UNPD*
NPO14305 Moricandia arvensis Species Brassicaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5140 Organism Planorbella trivolvis Planorbella trivolvis LC50 = 24000 nM 22069667

  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 NPC297608 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
0.9474 High Similarity NPC250954
0.85 High Similarity NPC281043
0.8 Intermediate Similarity NPC90490
0.7826 Intermediate Similarity NPC82446
0.7805 Intermediate Similarity NPC147824
0.7805 Intermediate Similarity NPC298413
0.7674 Intermediate Similarity NPC41409
0.75 Intermediate Similarity NPC65353
0.7436 Intermediate Similarity NPC63354
0.7292 Intermediate Similarity NPC15789
0.7273 Intermediate Similarity NPC57923
0.725 Intermediate Similarity NPC297363
0.725 Intermediate Similarity NPC122676
0.725 Intermediate Similarity NPC60675
0.7174 Intermediate Similarity NPC270706
0.7143 Intermediate Similarity NPC63598
0.7021 Intermediate Similarity NPC128280
0.6939 Remote Similarity NPC236338
0.6939 Remote Similarity NPC275316
0.6889 Remote Similarity NPC102879
0.6875 Remote Similarity NPC128520
0.6842 Remote Similarity NPC323552
0.6818 Remote Similarity NPC8270
0.6731 Remote Similarity NPC151761
0.6731 Remote Similarity NPC159535
0.6667 Remote Similarity NPC159773
0.6667 Remote Similarity NPC308418
0.6667 Remote Similarity NPC106531
0.6667 Remote Similarity NPC221250
0.6585 Remote Similarity NPC224651
0.6585 Remote Similarity NPC98098
0.6512 Remote Similarity NPC107877
0.6481 Remote Similarity NPC150717
0.6481 Remote Similarity NPC245002
0.6458 Remote Similarity NPC26600
0.6458 Remote Similarity NPC47946
0.6444 Remote Similarity NPC203382
0.6415 Remote Similarity NPC269615
0.6415 Remote Similarity NPC478120
0.6364 Remote Similarity NPC129150
0.6364 Remote Similarity NPC294938
0.6364 Remote Similarity NPC226511
0.6346 Remote Similarity NPC191643
0.6327 Remote Similarity NPC197467
0.6296 Remote Similarity NPC474913
0.6279 Remote Similarity NPC9290
0.625 Remote Similarity NPC312547
0.625 Remote Similarity NPC223679
0.625 Remote Similarity NPC254095
0.619 Remote Similarity NPC146507
0.619 Remote Similarity NPC310810
0.6182 Remote Similarity NPC86948
0.6182 Remote Similarity NPC221763
0.614 Remote Similarity NPC97570
0.614 Remote Similarity NPC302564
0.614 Remote Similarity NPC82465
0.614 Remote Similarity NPC159650
0.614 Remote Similarity NPC22897
0.6122 Remote Similarity NPC172042
0.6087 Remote Similarity NPC123357
0.6078 Remote Similarity NPC234084
0.6078 Remote Similarity NPC135698
0.6078 Remote Similarity NPC126184
0.6071 Remote Similarity NPC212730
0.6071 Remote Similarity NPC293437
0.6071 Remote Similarity NPC249850
0.6071 Remote Similarity NPC471279
0.6071 Remote Similarity NPC135863
0.6071 Remote Similarity NPC265551
0.6071 Remote Similarity NPC471277
0.6034 Remote Similarity NPC130953
0.6034 Remote Similarity NPC309408
0.6034 Remote Similarity NPC26223
0.6 Remote Similarity NPC173157
0.6 Remote Similarity NPC478117
0.6 Remote Similarity NPC8466
0.5968 Remote Similarity NPC225272
0.5965 Remote Similarity NPC189700
0.5965 Remote Similarity NPC21946
0.5965 Remote Similarity NPC474084
0.5962 Remote Similarity NPC221467
0.5952 Remote Similarity NPC144407
0.5932 Remote Similarity NPC26810
0.5926 Remote Similarity NPC477781
0.5926 Remote Similarity NPC477780
0.5918 Remote Similarity NPC51329
0.5918 Remote Similarity NPC304079
0.5918 Remote Similarity NPC6963
0.5918 Remote Similarity NPC12907
0.5893 Remote Similarity NPC230296
0.5882 Remote Similarity NPC68577
0.5862 Remote Similarity NPC222852
0.5862 Remote Similarity NPC474267
0.5849 Remote Similarity NPC43053
0.5833 Remote Similarity NPC187922
0.5833 Remote Similarity NPC44343
0.5833 Remote Similarity NPC210303
0.5833 Remote Similarity NPC473737
0.5833 Remote Similarity NPC179087
0.5818 Remote Similarity NPC218486
0.5769 Remote Similarity NPC15912
0.5769 Remote Similarity NPC250919
0.5769 Remote Similarity NPC223675
0.5763 Remote Similarity NPC471278
0.5763 Remote Similarity NPC98519
0.5763 Remote Similarity NPC79756
0.5763 Remote Similarity NPC299730
0.575 Remote Similarity NPC20903
0.5738 Remote Similarity NPC25747
0.5738 Remote Similarity NPC470808
0.5738 Remote Similarity NPC148233
0.5738 Remote Similarity NPC308457
0.5714 Remote Similarity NPC273054
0.5686 Remote Similarity NPC308331
0.5682 Remote Similarity NPC72258
0.5667 Remote Similarity NPC151648
0.5667 Remote Similarity NPC14437
0.5667 Remote Similarity NPC270412
0.566 Remote Similarity NPC27264
0.5645 Remote Similarity NPC96414
0.5645 Remote Similarity NPC273600
0.5645 Remote Similarity NPC19769
0.5614 Remote Similarity NPC51846
0.5614 Remote Similarity NPC472808
0.5614 Remote Similarity NPC324224

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC297608 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
0.8684 High Similarity NPD9115 Approved
0.6585 Remote Similarity NPD8573 Approved
0.5854 Remote Similarity NPD9114 Clinical (unspecified phase)
0.5849 Remote Similarity NPD6927 Phase 3
0.58 Remote Similarity NPD9378 Approved
0.5769 Remote Similarity NPD4220 Pre-registration
0.575 Remote Similarity NPD8187 Phase 3
0.5745 Remote Similarity NPD8839 Phase 3
0.5667 Remote Similarity NPD9418 Clinical (unspecified phase)
0.566 Remote Similarity NPD9437 Clinical (unspecified phase)
0.56 Remote Similarity NPD6096 Approved
0.56 Remote Similarity NPD6097 Approved

Structure

External Identifiers

PubChem CID   5319306
ChEMBL   CHEMBL2229362
ZINC  

Physicochemical Properties

Molecular Weight:  174.07
ALogP:  2.4604
MLogP:  2.45
XLogP:  3.071
# Rotatable Bonds:  4
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  13

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs