N-[(5R,6S,9R,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]methanimine

Details

Top
Internal ID 4f7d7480-432e-4116-9891-ba9ac393bce0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
IUPAC Name N-[(5R,6S,9R,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]methanimine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H27N/c1-11(2)14-7-6-13(4)16(15(14)17-5)9-8-12(3)10-16/h10-11,13-15H,5-9H2,1-4H3/t13-,14+,15+,16-/m0/s1
InChI Key UIFMZXIMBFQLQN-JJXSEGSLSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H27N
Molecular Weight 233.39 g/mol
Exact Mass 233.214349865 g/mol
Topological Polar Surface Area (TPSA) 12.40 Ų
XlogP 5.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of N-[(5R,6S,9R,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]methanimine

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 91.77% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.09% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.45% 91.11%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 88.82% 94.80%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.41% 100.00%
CHEMBL2581 P07339 Cathepsin D 86.28% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.69% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.41% 95.89%
CHEMBL4072 P07858 Cathepsin B 83.84% 93.67%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.37% 97.09%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 81.42% 86.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.97% 96.47%
CHEMBL1871 P10275 Androgen Receptor 80.84% 96.43%

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.
There are no matching plants.

Cross-Links

Top
PubChem 162971857
LOTUS LTS0065552
wikiData Q105273347