(1S,4S)-6-methoxy-4,7-dimethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ol

Details

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Internal ID c70583e0-12a9-4c01-ac7c-f9e53d5d8cbe
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1S,4S)-6-methoxy-4,7-dimethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H24O2/c1-10(2)16(17)7-6-11(3)13-9-15(18-5)12(4)8-14(13)16/h8-11,17H,6-7H2,1-5H3/t11-,16-/m0/s1
InChI Key HGNDGYPWLHDLPF-ZBEGNZNMSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H24O2
Molecular Weight 248.36 g/mol
Exact Mass 248.177630004 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 3.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1S,4S)-6-methoxy-4,7-dimethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ol

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 96.36% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.61% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.39% 89.62%
CHEMBL241 Q14432 Phosphodiesterase 3A 90.90% 92.94%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.74% 94.45%
CHEMBL4581 P52732 Kinesin-like protein 1 86.39% 93.18%
CHEMBL5203 P33316 dUTP pyrophosphatase 86.33% 99.18%
CHEMBL4302 P08183 P-glycoprotein 1 86.12% 92.98%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 85.17% 97.14%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.62% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.20% 95.89%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.01% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.87% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.47% 97.09%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 83.45% 90.24%
CHEMBL2535 P11166 Glucose transporter 83.04% 98.75%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.95% 92.62%
CHEMBL2581 P07339 Cathepsin D 81.68% 98.95%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.12% 95.89%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 80.28% 91.03%

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 23425668
LOTUS LTS0071149
wikiData Q105027854