Natural Product: NPC145707

Natural Product ID:  NPC145707
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H22N2O2
Standard InCHIKey:  RWGCPRXNEWRKMS-QHSBEEBCSA-N
Standard InCHI:  InChI=1S/C15H22N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h1,6,11-12,14,19H,2-5,7-10H2/t11-,12-,14-,15-/m1/s1
Canonical SMILES:  O=C1C=CC[C@H]2N1C[C@]1(O)CCCN3[C@@H]1[C@@H]2CCC3
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
NPO7715 Sophora tonkinensis Species Fabaceae Eukaryota Rhizomes Nanning, Guangxi Province, China 2012-DEC PMID[26132528]
NPO19667 Hypericum styphelioides Species Hypericaceae Eukaryota UNPD*
NPO16141 Piper regnellii Species Piperaceae Eukaryota UNPD*
NPO18286 Lycogala epidendrum Species Enteridiidae Eukaryota UNPD*
NPO20843 Monsonia senegalensis Species Geraniaceae Eukaryota UNPD*
NPO3152 Morella rubra Species Myricaceae Eukaryota UNPD*
NPO28202 Helichrysum tenuifolium Species Asteraceae Eukaryota UNPD*
NPO17258 Rhinella marina Species Bufonidae Eukaryota UNPD*
NPO18473 Plathymenia reticulata Species Fabaceae Eukaryota UNPD*
NPO19995 Baccharis neglecta Species Asteraceae Eukaryota UNPD*
NPO18668 Asimina parviflora Species Annonaceae Eukaryota UNPD*
NPO20489 Epilobium hirsutum Species Onagraceae Eukaryota UNPD*
NPO17560 Pancratium sickenbergeri Species Amaryllidaceae Eukaryota UNPD*
NPO9968 Shigella dysenteriae Species Enterobacteriaceae Bacteria UNPD*
NPO20142 Embelia schimperi Species Primulaceae Eukaryota UNPD*
NPO21038 Lemaireocereus longispinus Species Cactaceae Eukaryota UNPD*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota UNPD*
NPO16569 Gymnocalycium schickendantzii Species Cactaceae Eukaryota UNPD*
NPO21108 Eria anomala Species Orchidaceae Eukaryota UNPD*
NPO14241 Planchonia grandis Species Asterolecaniidae Eukaryota UNPD*
NPO21243 Siphonaria capensis Species Siphonariidae Eukaryota UNPD*
NPO4051 Tricholoma columbetta Species Tricholomataceae Eukaryota UNPD*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota UNPD*
NPO12313 Haplophyllum obtusifolium Species Rutaceae Eukaryota UNPD*
NPO11523 Erysimum leptophyllum Species Brassicaceae Eukaryota UNPD*
NPO20624 Simarouba glauca Species Simaroubaceae Eukaryota UNPD*
NPO21631 Faramea salicifolia Species Rubiaceae Eukaryota UNPD*
NPO18866 Pteridium esculentum Species Dennstaedtiaceae Eukaryota UNPD*
NPO20084 Atraphaxis spinosa Species Polygonaceae Eukaryota UNPD*
NPO21375 Euphorbia nematocypha Species Euphorbiaceae Eukaryota UNPD*
NPO19036 Esenbeckia leiocarpa Species Rutaceae Eukaryota UNPD*
NPO27367 Latrunculia magnifica Species Latrunculiidae Eukaryota UNPD*
NPO22961 Cordia leucocephala Species Cordiaceae Eukaryota UNPD*
NPO21562 Diospyros assimilis Species Ebenaceae Eukaryota UNPD*
NPO21170 Embelia parviflora Species Primulaceae Eukaryota UNPD*
NPO20598 Lythrum salicaria Species Lythraceae Eukaryota UNPD*
NPO20879 Clerodendrum bungei Species Lamiaceae Eukaryota UNPD*
NPO19912 Vellozia nanuzae Species Velloziaceae Eukaryota UNPD*
NPO19810 Myxococcus stipitatus Species Myxococcaceae Bacteria UNPD*
NPO13449 Syzygium polycephaloides Species Myrtaceae Eukaryota UNPD*
NPO28072 Theonella conica Species Theonellidae Eukaryota UNPD*
NPO22937 Vernonia fagifolia Species Asteraceae Eukaryota UNPD*
NPO20680 Erythrina melanacantha Species Fabaceae Eukaryota UNPD*
NPO17334 Onopordum acanthium Species Asteraceae Eukaryota UNPD*
NPO12056 Chondrodendron tomentosum Species Menispermaceae Eukaryota UNPD*
NPO18143 Dendronephthya griffini Species Nephtheidae Eukaryota UNPD*
NPO19511 Dolabella californica Species Aplysiidae Eukaryota UNPD*
NPO17849 Centaurea maculosa Species Asteraceae Eukaryota UNPD*
NPO20421 Aplophyllum alberti-regelii NA NA NA UNPD*
NPO21495 Abelia chinensis Species Caprifoliaceae Eukaryota UNPD*
NPO5903 Conus mus Species Conidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT616 Cell Line MDCK Canis lupus familiaris TC50 > 762.34 nM 26132528
NPT742 Organism Influenza A virus Influenza A virus IC50 = 440140 nM 26132528

  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 NPC145707 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
0.9231 High Similarity NPC91036
0.8936 High Similarity NPC100810
0.8936 High Similarity NPC144714
0.8588 High Similarity NPC127430
0.8588 High Similarity NPC120699
0.8571 High Similarity NPC472856
0.8315 Intermediate Similarity NPC207048
0.814 Intermediate Similarity NPC308050
0.8111 Intermediate Similarity NPC135639
0.8111 Intermediate Similarity NPC143344
0.8111 Intermediate Similarity NPC78058
0.8111 Intermediate Similarity NPC61321
0.8111 Intermediate Similarity NPC234822
0.7174 Intermediate Similarity NPC268580
0.7111 Intermediate Similarity NPC63284
0.7053 Intermediate Similarity NPC124359
0.7033 Intermediate Similarity NPC320667
0.7033 Intermediate Similarity NPC214125
0.6957 Remote Similarity NPC86452
0.6957 Remote Similarity NPC244256
0.6915 Remote Similarity NPC209232
0.6796 Remote Similarity NPC470382
0.6796 Remote Similarity NPC25033
0.6796 Remote Similarity NPC119225
0.6796 Remote Similarity NPC471635
0.6796 Remote Similarity NPC476261
0.6632 Remote Similarity NPC77890
0.6632 Remote Similarity NPC267203
0.6632 Remote Similarity NPC132858
0.66 Remote Similarity NPC168017
0.6598 Remote Similarity NPC255430
0.6559 Remote Similarity NPC34672
0.6471 Remote Similarity NPC178632
0.63 Remote Similarity NPC57163
0.63 Remote Similarity NPC116881
0.625 Remote Similarity NPC17143
0.625 Remote Similarity NPC47230
0.6186 Remote Similarity NPC288629
0.6117 Remote Similarity NPC324506
0.6061 Remote Similarity NPC476560
0.6038 Remote Similarity NPC110875
0.6038 Remote Similarity NPC118844
0.6038 Remote Similarity NPC72183
0.6038 Remote Similarity NPC299808
0.602 Remote Similarity NPC473446
0.602 Remote Similarity NPC473695
0.6019 Remote Similarity NPC322672
0.6018 Remote Similarity NPC477001
0.6018 Remote Similarity NPC477000
0.6 Remote Similarity NPC270813
0.6 Remote Similarity NPC206660
0.6 Remote Similarity NPC207820
0.5983 Remote Similarity NPC143173
0.5982 Remote Similarity NPC473289
0.598 Remote Similarity NPC475975
0.5962 Remote Similarity NPC473525
0.5955 Remote Similarity NPC477461
0.5955 Remote Similarity NPC477459
0.5952 Remote Similarity NPC247902
0.5952 Remote Similarity NPC262880
0.5922 Remote Similarity NPC319913
0.5922 Remote Similarity NPC76283
0.5914 Remote Similarity NPC23721
0.5877 Remote Similarity NPC75523
0.5865 Remote Similarity NPC157479
0.5862 Remote Similarity NPC476276
0.5854 Remote Similarity NPC13351
0.5851 Remote Similarity NPC290231
0.5851 Remote Similarity NPC48448
0.5851 Remote Similarity NPC271803
0.5851 Remote Similarity NPC206241
0.5851 Remote Similarity NPC68043
0.5851 Remote Similarity NPC266383
0.5851 Remote Similarity NPC180401
0.5843 Remote Similarity NPC42477
0.5826 Remote Similarity NPC476328
0.5795 Remote Similarity NPC231129
0.5789 Remote Similarity NPC473254
0.5784 Remote Similarity NPC473810
0.5773 Remote Similarity NPC470993
0.5773 Remote Similarity NPC470992
0.5769 Remote Similarity NPC147513
0.5752 Remote Similarity NPC77703
0.575 Remote Similarity NPC478137
0.5739 Remote Similarity NPC469604
0.573 Remote Similarity NPC82919
0.5714 Remote Similarity NPC80447
0.5702 Remote Similarity NPC474984
0.5691 Remote Similarity NPC471673
0.5686 Remote Similarity NPC288415
0.5686 Remote Similarity NPC45906
0.5686 Remote Similarity NPC31313
0.5686 Remote Similarity NPC149908
0.5664 Remote Similarity NPC316730
0.5652 Remote Similarity NPC318544
0.5652 Remote Similarity NPC476559
0.5648 Remote Similarity NPC473056
0.5644 Remote Similarity NPC90839
0.5638 Remote Similarity NPC477460
0.5638 Remote Similarity NPC76869
0.5631 Remote Similarity NPC93630
0.5631 Remote Similarity NPC215474
0.563 Remote Similarity NPC469603
0.5625 Remote Similarity NPC97614
0.5612 Remote Similarity NPC470994
0.5603 Remote Similarity NPC470073
0.5603 Remote Similarity NPC476921

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC145707 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
0.6632 Remote Similarity NPD529 Approved
0.5729 Remote Similarity NPD815 Approved
0.5729 Remote Similarity NPD816 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3588877
ZINC  

Physicochemical Properties

Molecular Weight:  262.17
ALogP:  -1.187
MLogP:  2.67
XLogP:  0.36
# Rotatable Bonds:  1
Polar Surface Area:  43.78
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  19

Download Data

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