[(1S,2S,6R,8R)-8-methyl-1-propan-2-yl-5-tricyclo[4.4.0.02,8]dec-4-enyl]methanol

Details

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Internal ID cef902a6-a766-494b-9960-5ae1cb07a72f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids
IUPAC Name [(1S,2S,6R,8R)-8-methyl-1-propan-2-yl-5-tricyclo[4.4.0.02,8]dec-4-enyl]methanol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24O/c1-10(2)15-7-6-14(3)8-12(15)11(9-16)4-5-13(14)15/h4,10,12-13,16H,5-9H2,1-3H3/t12-,13-,14+,15+/m0/s1
InChI Key XRDCLHONVXQBIE-BYNSBNAKSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [(1S,2S,6R,8R)-8-methyl-1-propan-2-yl-5-tricyclo[4.4.0.02,8]dec-4-enyl]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
CHEMBL253 P34972 Cannabinoid CB2 receptor 98.69% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.47% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.58% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.15% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.02% 97.09%
CHEMBL2581 P07339 Cathepsin D 88.03% 98.95%
CHEMBL218 P21554 Cannabinoid CB1 receptor 87.98% 96.61%
CHEMBL226 P30542 Adenosine A1 receptor 86.71% 95.93%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.86% 93.56%
CHEMBL237 P41145 Kappa opioid receptor 81.82% 98.10%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.45% 92.62%

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.
Nicotiana umbratica

Cross-Links

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PubChem 102426886
LOTUS LTS0113689
wikiData Q105340388