[8-(4-Acetyloxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalen-2-yl] acetate

Details

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Internal ID d9c62a71-e989-43b0-865f-3d08aae50ad4
Taxonomy Benzenoids > Naphthalenes
IUPAC Name [8-(4-acetyloxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalen-2-yl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H32O4/c1-15(2)21-13-19-11-10-16(3)20(22(19)14-23(21)27-17(4)25)9-8-12-24(6,7)28-18(5)26/h10-11,13-15H,8-9,12H2,1-7H3
InChI Key SXYXAGRXNUGPEZ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H32O4
Molecular Weight 384.50 g/mol
Exact Mass 384.23005950 g/mol
Topological Polar Surface Area (TPSA) 52.60 Ų
XlogP 5.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [8-(4-Acetyloxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalen-2-yl] acetate

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
CHEMBL2581 P07339 Cathepsin D 98.54% 98.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 94.57% 97.21%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.51% 91.11%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 93.69% 96.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 92.05% 93.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.98% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 89.74% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.86% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.82% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.55% 89.62%
CHEMBL4581 P52732 Kinesin-like protein 1 87.15% 93.18%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.57% 96.09%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.48% 93.65%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.98% 90.71%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 83.88% 92.29%
CHEMBL1907 P15144 Aminopeptidase N 83.86% 93.31%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.43% 95.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.31% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.58% 94.45%
CHEMBL1914 P06276 Butyrylcholinesterase 81.56% 95.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.51% 89.00%
CHEMBL2535 P11166 Glucose transporter 80.87% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.67% 94.00%

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.
Calocedrus formosana

Cross-Links

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PubChem 162867527
LOTUS LTS0103572
wikiData Q105015442