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Flabellidine

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID a014d3b4-351b-4357-b38f-714178955bf6
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1-[(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-6-yl]ethanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H28N2O/c1-12-9-14-10-17-16(6-4-8-20(17)13(2)21)18(11-12)15(14)5-3-7-19-18/h12,14-15,19H,3-11H2,1-2H3/t12-,14+,15-,18-/m1/s1
InChI Key RBQBCMDKPKIDLR-MJXUCMMTSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C18H28N2O
Molecular Weight 288.40 g/mol
Exact Mass 288.220163521 g/mol
Topological Polar Surface Area (TPSA) 32.30 Ų
XlogP 1.80

Synonyms

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C09865
6900-86-3
CHEBI:5068
Q27106641
1-[(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-6-yl]ethanone

2D Structure

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2D Structure of Flabellidine

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 98.87% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.32% 97.25%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.25% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.60% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.14% 97.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.97% 91.11%
CHEMBL340 P08684 Cytochrome P450 3A4 88.56% 91.19%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 88.23% 93.04%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 86.80% 95.50%
CHEMBL2581 P07339 Cathepsin D 86.27% 98.95%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 85.09% 93.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.78% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.70% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.19% 99.23%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 81.66% 96.39%

Plants that contains it

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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

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PubChem 5462441
LOTUS LTS0056213
wikiData Q27106641