(14-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Details

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Internal ID 0f3bfd9f-e0f9-46c7-b826-923bbdc4de55
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H35NO5/c1-16-15-26-19-5-3-11-27(26)12-4-6-20(26)22(14-18(19)25(16)30)32-24(29)10-8-17-7-9-21(28)23(13-17)31-2/h7-10,13,16,18-20,22,25,28,30H,3-6,11-12,14-15H2,1-2H3
InChI Key PEMHEVYOMFCFQG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H35NO5
Molecular Weight 441.60 g/mol
Exact Mass 441.25152322 g/mol
Topological Polar Surface Area (TPSA) 79.20 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (14-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.87% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.38% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.84% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.68% 95.56%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 95.01% 89.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.01% 96.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.24% 89.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 91.50% 92.94%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.11% 85.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.39% 97.09%
CHEMBL2535 P11166 Glucose transporter 89.21% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.58% 95.89%
CHEMBL4208 P20618 Proteasome component C5 87.51% 90.00%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 87.44% 91.03%
CHEMBL1951 P21397 Monoamine oxidase A 87.01% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.86% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.46% 100.00%
CHEMBL340 P08684 Cytochrome P450 3A4 82.84% 91.19%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 82.71% 94.08%
CHEMBL2581 P07339 Cathepsin D 82.70% 98.95%
CHEMBL3788 O00444 Serine/threonine-protein kinase PLK4 82.48% 83.65%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.23% 100.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.62% 91.07%
CHEMBL3194 P02766 Transthyretin 80.40% 90.71%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 80.22% 90.24%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.10% 97.14%

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 72958509
LOTUS LTS0077820
wikiData Q105207181