Natural Product: NPC243635

Natural Product ID:  NPC243635
Common Name:   Sparteine
IUPAC Name:  
Synonyms:   Sparteine
Molecular Formula:   C15H26N2
Standard InCHIKey:  SLRCCWJSBJZJBV-TUVASFSCSA-N
Standard InCHI:  InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1
Canonical SMILES:  C1CC[C@@H]2N(C1)C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2
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
NPO9852 Polyporus pargamenus Species Polyporaceae Eukaryota UNPD*
NPO8762 Brickellia cylindracea Species Asteraceae Eukaryota UNPD*
NPO12280 Sidastrum burrerense Species Malvaceae Eukaryota UNPD*
NPO621 Eria floribunda Species Orchidaceae Eukaryota UNPD*
NPO12164 Monnieria trifolia NA NA NA UNPD*
NPO10968 Striga lutea Species Orobanchaceae Eukaryota UNPD*
NPO11306 Crotalaria medicaginea Species Fabaceae Eukaryota UNPD*
NPO12053 Eria alba Species Orchidaceae Eukaryota UNPD*
NPO26595 Cryptocarya amygdalina Species Lauraceae Eukaryota UNPD*
NPO15185 Yucca recurvifolia Species Asparagaceae Eukaryota UNPD*
NPO26177 Macrophomina phaseoli Species Botryosphaeriaceae Eukaryota UNPD*
NPO9464 Stevia paniculata Species Asteraceae Eukaryota UNPD*
NPO5289 Calocephalus citreus Species Asteraceae Eukaryota UNPD*
NPO26187 Fritillaria stenanthera Species Liliaceae Eukaryota UNPD*
NPO7108 Rubus lambertianus Species Rosaceae Eukaryota UNPD*
NPO6447 Kopsia teoi Species Apocynaceae Eukaryota UNPD*
NPO5390 Lupinus pusillus Species Fabaceae Eukaryota UNPD*
NPO12374 Psychotria st Species Rubiaceae Eukaryota UNPD*
NPO2342 Cytisus scoparius Species Fabaceae Eukaryota UNPD*
NPO25726 Streptomyces echinoruber Species Streptomycetaceae Bacteria UNPD*
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota TCMSP*
NPO6052 Genista pichisermolliana Species Fabaceae Eukaryota UNPD*
NPO10089 Polyalthia barnesii Species Annonaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition > 95 % 6471064
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens IC50 = 60000 nM 16610785
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 > 200 ug/ml 1710653
NPT2 Others Unspecified IC50 = 331000 nM 7798968
NPT2 Others Unspecified IC50 = 21000 nM 7798968

  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 NPC243635 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
1.0 High Similarity NPC228980
1.0 High Similarity NPC151004
0.75 Intermediate Similarity NPC290231
0.75 Intermediate Similarity NPC266383
0.75 Intermediate Similarity NPC68043
0.75 Intermediate Similarity NPC48448
0.75 Intermediate Similarity NPC180401
0.75 Intermediate Similarity NPC206241
0.75 Intermediate Similarity NPC271803
0.7059 Intermediate Similarity NPC17770
0.6957 Remote Similarity NPC80447
0.6618 Remote Similarity NPC127553
0.6618 Remote Similarity NPC255050
0.6301 Remote Similarity NPC308050
0.625 Remote Similarity NPC112398
0.6234 Remote Similarity NPC124359
0.6234 Remote Similarity NPC153734
0.6207 Remote Similarity NPC201713
0.619 Remote Similarity NPC231129
0.6133 Remote Similarity NPC120699
0.6133 Remote Similarity NPC127430
0.6133 Remote Similarity NPC268580
0.6094 Remote Similarity NPC82919
0.6 Remote Similarity NPC39308
0.5926 Remote Similarity NPC168017
0.5921 Remote Similarity NPC90839
0.5897 Remote Similarity NPC255430
0.5849 Remote Similarity NPC471440
0.5849 Remote Similarity NPC471575
0.5783 Remote Similarity NPC178632
0.5769 Remote Similarity NPC31313
0.5769 Remote Similarity NPC149908
0.5769 Remote Similarity NPC45906
0.5769 Remote Similarity NPC288415
0.5763 Remote Similarity NPC153803
0.575 Remote Similarity NPC143344
0.575 Remote Similarity NPC135639
0.575 Remote Similarity NPC234822
0.575 Remote Similarity NPC78058
0.575 Remote Similarity NPC61321
0.575 Remote Similarity NPC207048
0.5696 Remote Similarity NPC93630
0.5606 Remote Similarity NPC21781

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC243635 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
1.0 High Similarity NPD1823 Approved
1.0 High Similarity NPD1822 Approved
1.0 High Similarity NPD1821 Approved
0.7818 Intermediate Similarity NPD3727 Discontinued
0.661 Remote Similarity NPD3711 Phase 3
0.661 Remote Similarity NPD3712 Phase 3
0.6552 Remote Similarity NPD3721 Approved
0.6552 Remote Similarity NPD3722 Approved
0.6379 Remote Similarity NPD5793 Discontinued
0.5932 Remote Similarity NPD4834 Discontinued
0.5902 Remote Similarity NPD4839 Approved
0.5862 Remote Similarity NPD5379 Clinical (unspecified phase)
0.5818 Remote Similarity NPD390 Approved
0.5818 Remote Similarity NPD718 Approved
0.5625 Remote Similarity NPD298 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   7014
ChEMBL   CHEMBL412873
ZINC  

Physicochemical Properties

Molecular Weight:  234.21
ALogP:  -2.3058
MLogP:  2.89
XLogP:  2.12
# Rotatable Bonds:  0
Polar Surface Area:  6.48
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  17

Download Data

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Similar NPs/Drugs