1-Methyl-6-methylidene-4-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-ol

Details

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Internal ID ff3f0b7b-137c-41dd-9799-78c757b1f70b
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1-methyl-6-methylidene-4-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-ol
SMILES (Canonical) CC(C)C1CCC(C2C1CC(=C)CC2)(C)O
SMILES (Isomeric) CC(C)C1CCC(C2C1CC(=C)CC2)(C)O
InChI InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h10,12-14,16H,3,5-9H2,1-2,4H3
InChI Key DCGIIRVFKWJQME-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-Methyl-6-methylidene-4-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydronaphthalen-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.96% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.08% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.00% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.08% 98.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.14% 100.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.01% 85.14%
CHEMBL1871 P10275 Androgen Receptor 88.96% 96.43%
CHEMBL2996 Q05655 Protein kinase C delta 86.49% 97.79%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.20% 95.89%
CHEMBL1937 Q92769 Histone deacetylase 2 84.16% 94.75%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.20% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.36% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.31% 90.71%

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 85126088
LOTUS LTS0113324
wikiData Q104975355