7-epi-Deoxynupharidine

Details

Top
Internal ID e8e07b11-418a-4129-b2b2-a18fbea2d47e
Taxonomy Organoheterocyclic compounds > Quinolizines
IUPAC Name (1R,4S,7R,9aS)-4-(furan-3-yl)-1,7-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILES (Canonical) CC1CCC2C(CCC(N2C1)C3=COC=C3)C
SMILES (Isomeric) C[C@@H]1CC[C@H]2[C@@H](CC[C@H](N2C1)C3=COC=C3)C
InChI InChI=1S/C15H23NO/c1-11-3-5-14-12(2)4-6-15(16(14)9-11)13-7-8-17-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12-,14+,15+/m1/s1
InChI Key VACYOTYBTLYIEB-UXOAXIEHSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H23NO
Molecular Weight 233.35 g/mol
Exact Mass 233.177964357 g/mol
Topological Polar Surface Area (TPSA) 16.40 Ų
XlogP 3.50

Synonyms

Top
7-epideoxynupharidine
CHEMBL140239

2D Structure

Top
2D Structure of 7-epi-Deoxynupharidine

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.91% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.82% 97.09%
CHEMBL4040 P28482 MAP kinase ERK2 88.39% 83.82%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 84.40% 94.80%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.59% 86.33%
CHEMBL2581 P07339 Cathepsin D 82.40% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.12% 91.11%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Nuphar variegata

Cross-Links

Top
PubChem 10537609
LOTUS LTS0108325
wikiData Q105151931