6-Dodeca-1,3,7,9-tetraenyl-2-methylpiperidin-3-ol

Details

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Internal ID bc52b6a5-dd24-4d1e-bfcf-8afc1750e2c8
Taxonomy Organoheterocyclic compounds > Piperidines
IUPAC Name 6-dodeca-1,3,7,9-tetraenyl-2-methylpiperidin-3-ol
SMILES (Canonical) CCC=CC=CCCC=CC=CC1CCC(C(N1)C)O
SMILES (Isomeric) CCC=CC=CCCC=CC=CC1CCC(C(N1)C)O
InChI InChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(20)16(2)19-17/h4-7,10-13,16-20H,3,8-9,14-15H2,1-2H3
InChI Key DIPDTUOTIZEHEQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H29NO
Molecular Weight 275.40 g/mol
Exact Mass 275.224914549 g/mol
Topological Polar Surface Area (TPSA) 32.30 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-Dodeca-1,3,7,9-tetraenyl-2-methylpiperidin-3-ol

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.90% 97.25%
CHEMBL226 P30542 Adenosine A1 receptor 95.82% 95.93%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.68% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.53% 97.09%
CHEMBL255 P29275 Adenosine A2b receptor 88.94% 98.59%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.47% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.11% 91.11%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.86% 91.71%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 82.61% 95.58%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.50% 89.34%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.09% 100.00%
CHEMBL2581 P07339 Cathepsin D 80.13% 98.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 73836905
LOTUS LTS0072169
wikiData Q104981565