1,6-Dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene

Details

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Internal ID 5d66d418-4e14-4e3c-a7d6-25e68a481e72
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H24O/c1-15(2)19-11-10-16(3)20-13-22(17(4)12-21(19)20)23-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3
InChI Key UMXUOKROQRJEPT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H24O
Molecular Weight 304.40 g/mol
Exact Mass 304.182715385 g/mol
Topological Polar Surface Area (TPSA) 9.20 Ų
XlogP 6.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,6-Dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene

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 96.46% 98.95%
CHEMBL3202 P48147 Prolyl endopeptidase 94.07% 90.65%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.78% 99.17%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 92.11% 95.34%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.54% 99.15%
CHEMBL1914 P06276 Butyrylcholinesterase 90.46% 95.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.03% 95.56%
CHEMBL2535 P11166 Glucose transporter 89.35% 98.75%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.63% 89.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.00% 86.33%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 87.94% 92.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.78% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.99% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 86.96% 94.73%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.77% 94.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.77% 91.11%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.38% 95.50%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.85% 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.
Heterotheca inuloides

Cross-Links

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PubChem 163194899
LOTUS LTS0084544
wikiData Q103815887