4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-naphthalene

Details

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Internal ID 4dbbc3b3-7b85-4f7e-bbb8-5c22c122e5a2
Taxonomy Benzenoids > Tetralins
IUPAC Name 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H22/c1-11(2)12-7-8-14-13(10-12)6-5-9-15(14,3)4/h7-8,10-11H,5-6,9H2,1-4H3
InChI Key FDUPERODPBGYFM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22
Molecular Weight 202.33 g/mol
Exact Mass 202.172150702 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-naphthalene

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 98.41% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.34% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.48% 94.45%
CHEMBL2581 P07339 Cathepsin D 92.26% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.05% 96.09%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 90.50% 85.30%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.53% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.43% 95.56%
CHEMBL4208 P20618 Proteasome component C5 85.12% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.59% 95.89%
CHEMBL1937 Q92769 Histone deacetylase 2 83.32% 94.75%
CHEMBL2337 P48067 Glycine transporter 1 82.18% 95.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.09% 90.71%

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.
Spruceanthus olivaceus

Cross-Links

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PubChem 11159991
LOTUS LTS0123204
wikiData Q104994656