1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-

Details

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Internal ID 7756334e-c61d-4a51-a96e-fc5f6cb7e12b
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Primary alcohols
IUPAC Name (2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methanol
SMILES (Canonical) CC1=CCC2C(CCCC2(C1CO)C)(C)C
SMILES (Isomeric) CC1=CCC2C(CCCC2(C1CO)C)(C)C
InChI InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3
InChI Key HMWSKUKBAWWOJL-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 3.90

Synonyms

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19078-37-6
(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methanol
1,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethyl-1-naphthalenemethanol
(?)-Drimenol
Drimenol, (-)-
SCHEMBL6511122
DTXSID20963668
HMWSKUKBAWWOJL-UHFFFAOYSA-N
NSC169775
(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methanol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-

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 94.68% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.14% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.22% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.49% 97.09%
CHEMBL1937 Q92769 Histone deacetylase 2 84.02% 94.75%
CHEMBL218 P21554 Cannabinoid CB1 receptor 83.48% 96.61%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.55% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.21% 100.00%
CHEMBL2581 P07339 Cathepsin D 81.41% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.39% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 80.23% 94.73%

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.
Amyris balsamifera
Bazzania fauriana
Bazzania praerupta
Bazzania tridens
Bazzania trilobata
Canella winterana
Drimys winteri
Frullania muscicola
Persicaria hydropiper
Porella vernicosa
Targionia hypophylla
Trichocolea tomentella
Valeriana officinalis
Warburgia stuhlmannii

Cross-Links

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PubChem 298071
LOTUS LTS0169032
wikiData Q104168015