5-(2,4a,5,5-Tetramethyl-1,4,6,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-en-1-ol

Details

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Internal ID 97d3f9b1-8180-49a5-a8cd-649fda0777f9
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name 5-(2,4a,5,5-tetramethyl-1,4,6,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-en-1-ol
SMILES (Canonical) CC1=CCC2(C(C1CCC(=CCO)C)CCCC2(C)C)C
SMILES (Isomeric) CC1=CCC2(C(C1CCC(=CCO)C)CCCC2(C)C)C
InChI InChI=1S/C20H34O/c1-15(11-14-21)8-9-17-16(2)10-13-20(5)18(17)7-6-12-19(20,3)4/h10-11,17-18,21H,6-9,12-14H2,1-5H3
InChI Key FFFJTXJWPXZCHV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O
Molecular Weight 290.50 g/mol
Exact Mass 290.260965704 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-(2,4a,5,5-Tetramethyl-1,4,6,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-en-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.40% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.29% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.33% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.00% 100.00%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 86.53% 95.50%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.33% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 85.79% 97.79%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.40% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 84.32% 94.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.20% 95.89%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.99% 100.00%
CHEMBL2581 P07339 Cathepsin D 80.91% 98.95%
CHEMBL1871 P10275 Androgen Receptor 80.71% 96.43%

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.
Brachyglottis bidwillii

Cross-Links

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PubChem 162925000
LOTUS LTS0082596
wikiData Q104994426