[(5S,8S)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl]methanol

Details

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Internal ID 509d74de-47f4-42f8-916c-205009a32beb
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name [(5S,8S)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
SMILES (Canonical) CC1CCC(C2=C1C=CC(=C2)CO)C(C)C
SMILES (Isomeric) C[C@H]1CC[C@H](C2=C1C=CC(=C2)CO)C(C)C
InChI InChI=1S/C15H22O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-8,10-11,13,16H,4,6,9H2,1-3H3/t11-,13-/m0/s1
InChI Key LXEZVXMZNKFZNA-AAEUAGOBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22O
Molecular Weight 218.33 g/mol
Exact Mass 218.167065321 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [(5S,8S)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl]methanol

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 98.31% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.68% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.40% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 95.81% 95.93%
CHEMBL5608 Q16288 NT-3 growth factor receptor 93.04% 95.89%
CHEMBL5203 P33316 dUTP pyrophosphatase 91.14% 99.18%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.89% 91.11%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 87.39% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.10% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.12% 94.45%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.58% 90.24%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 83.23% 97.23%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.92% 97.09%
CHEMBL218 P21554 Cannabinoid CB1 receptor 82.67% 96.61%

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.
Juniperus formosana

Cross-Links

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PubChem 10536824
LOTUS LTS0158130
wikiData Q105158807