malonganenon H

Details

Top
Internal ID f9f06a46-dfe0-4b22-b6a4-9aa3b91eb88c
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name N-[(2E,6E,11E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl]formamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H35NO2/c1-17(2)14-21(24)15-20(5)11-7-9-18(3)8-6-10-19(4)12-13-22-16-23/h8,12,15-17H,6-7,9-11,13-14H2,1-5H3,(H,22,23)/b18-8+,19-12+,20-15+
InChI Key HWWWXUSKGJVFKD-JWZAADIXSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C21H35NO2
Molecular Weight 333.50 g/mol
Exact Mass 333.266779359 g/mol
Topological Polar Surface Area (TPSA) 46.20 Ų
XlogP 5.70

Synonyms

Top
CHEMBL229706

2D Structure

Top
2D Structure of malonganenon H

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 93.58% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.52% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.61% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.46% 91.11%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 88.89% 97.29%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.02% 94.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 87.44% 96.47%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 86.58% 100.00%
CHEMBL2815 P04629 Nerve growth factor receptor Trk-A 86.00% 87.16%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 85.80% 94.33%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.27% 93.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.75% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 83.18% 94.73%
CHEMBL1829 O15379 Histone deacetylase 3 83.07% 95.00%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 82.77% 95.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.24% 96.00%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 81.84% 98.75%

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 16756549
LOTUS LTS0081967
wikiData Q105034858