Natural Product: NPC255430

Natural Product ID:  NPC255430
Common Name:   Multiflorine
IUPAC Name:  
Synonyms:   Multiflorine
Molecular Formula:   C15H22N2O
Standard InCHIKey:  HQSKZPOVBDNEGN-NZBPQXDJSA-N
Standard InCHI:  InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12-,14-,15+/m0/s1
Canonical SMILES:  O=C1C=CN2[C@H](C1)[C@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2
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
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota UNPD*
NPO12511 Leplaea thompsonii Species Meliaceae Eukaryota UNPD*
NPO27541 Lupinus lanatus Species Fabaceae Eukaryota UNPD*
NPO27101 Oscillatoria amoena Species Oscillatoriaceae Bacteria UNPD*
NPO27070 Strophanthus courmontii Species Apocynaceae Eukaryota UNPD*
NPO21982 Erechtites hieraciifolius Species Asteraceae Eukaryota UNPD*
NPO21102 Thalictrum wangii Species Ranunculaceae Eukaryota UNPD*
NPO16529 Plagiodera versicolora Species Chrysomelidae Eukaryota UNPD*
NPO16618 Neotermes connexus Species Termitoidae Eukaryota UNPD*
NPO21685 Magnolia coco Species Magnoliaceae Eukaryota UNPD*
NPO2502 Lupinus mexicanus Species Fabaceae Eukaryota UNPD*
NPO24195 Stylissa carteri Species Axinellidae Eukaryota UNPD*
NPO3866 Pistia stratiotes Species Araceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 500000 nM 7798968
NPT2 Others Unspecified IC50 = 47000 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 NPC255430 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
0.7326 Intermediate Similarity NPC120699
0.7326 Intermediate Similarity NPC268580
0.7326 Intermediate Similarity NPC127430
0.7303 Intermediate Similarity NPC61321
0.7303 Intermediate Similarity NPC143344
0.7303 Intermediate Similarity NPC135639
0.7303 Intermediate Similarity NPC78058
0.7303 Intermediate Similarity NPC234822
0.7294 Intermediate Similarity NPC308050
0.6923 Remote Similarity NPC207048
0.6867 Remote Similarity NPC180401
0.6867 Remote Similarity NPC271803
0.6867 Remote Similarity NPC206241
0.6867 Remote Similarity NPC290231
0.6867 Remote Similarity NPC68043
0.6867 Remote Similarity NPC48448
0.6867 Remote Similarity NPC266383
0.6667 Remote Similarity NPC76283
0.6598 Remote Similarity NPC145707
0.6477 Remote Similarity NPC80447
0.633 Remote Similarity NPC143173
0.6292 Remote Similarity NPC63284
0.6275 Remote Similarity NPC91036
0.6222 Remote Similarity NPC320667
0.6222 Remote Similarity NPC214125
0.6207 Remote Similarity NPC328895
0.6105 Remote Similarity NPC124359
0.6095 Remote Similarity NPC100810
0.6095 Remote Similarity NPC144714
0.5978 Remote Similarity NPC86452
0.5978 Remote Similarity NPC244256
0.5974 Remote Similarity NPC248956
0.5897 Remote Similarity NPC243635
0.5897 Remote Similarity NPC228980
0.5897 Remote Similarity NPC151004
0.5872 Remote Similarity NPC472856
0.5859 Remote Similarity NPC168017
0.5851 Remote Similarity NPC267203
0.5851 Remote Similarity NPC132858
0.5851 Remote Similarity NPC77890
0.5833 Remote Similarity NPC477461
0.5833 Remote Similarity NPC477459
0.5816 Remote Similarity NPC182106
0.5816 Remote Similarity NPC311769
0.5794 Remote Similarity NPC474001
0.5743 Remote Similarity NPC178632
0.5663 Remote Similarity NPC231129
0.566 Remote Similarity NPC184033
0.5644 Remote Similarity NPC259252
0.5636 Remote Similarity NPC133420

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC255430 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
0.6087 Remote Similarity NPD1402 Approved
0.5897 Remote Similarity NPD1822 Approved
0.5897 Remote Similarity NPD1821 Approved
0.5897 Remote Similarity NPD1823 Approved
0.5851 Remote Similarity NPD529 Approved

Structure

External Identifiers

PubChem CID   6918763
ChEMBL   CHEMBL517095
ZINC  

Physicochemical Properties

Molecular Weight:  246.17
ALogP:  -1.8423
MLogP:  2.78
XLogP:  1.685
# Rotatable Bonds:  0
Polar Surface Area:  23.55
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  18

Download Data

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Similar NPs/Drugs