4-Hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one

Details

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Internal ID 59822998-cc65-4fa7-b334-40f13ef5052f
Taxonomy Benzenoids > Tetralins
IUPAC Name 4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H18O2/c1-9(2)14(16)7-6-13(15)11-5-4-10(3)8-12(11)14/h4-5,8-9,16H,6-7H2,1-3H3
InChI Key MTSNNQKEEOCXOZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H18O2
Molecular Weight 218.29 g/mol
Exact Mass 218.130679813 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one

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 97.28% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.57% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.64% 91.11%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 91.39% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.47% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 89.28% 93.40%
CHEMBL4208 P20618 Proteasome component C5 87.52% 90.00%
CHEMBL4581 P52732 Kinesin-like protein 1 87.45% 93.18%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.24% 89.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.73% 93.03%

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.
Alpinia oxyphylla

Cross-Links

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PubChem 44255204
LOTUS LTS0071835
wikiData Q105171856