6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol

Details

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Internal ID 7e5a016e-5415-4f29-8e5a-c43e8ddc8a9c
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
IUPAC Name 6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol
SMILES (Canonical) CC1=C2CC(CCC2(C(CC1)O)C)C(C)(C)O
SMILES (Isomeric) CC1=C2CC(CCC2(C(CC1)O)C)C(C)(C)O
InChI InChI=1S/C15H26O2/c1-10-5-6-13(16)15(4)8-7-11(9-12(10)15)14(2,3)17/h11,13,16-17H,5-9H2,1-4H3
InChI Key ODLSRDICGYLIRN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O2
Molecular Weight 238.37 g/mol
Exact Mass 238.193280068 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-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
CHEMBL1871 P10275 Androgen Receptor 94.76% 96.43%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.71% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.48% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.89% 100.00%
CHEMBL3975 P09467 Fructose-1,6-bisphosphatase 88.71% 92.95%
CHEMBL2581 P07339 Cathepsin D 88.46% 98.95%
CHEMBL2996 Q05655 Protein kinase C delta 87.11% 97.79%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.41% 95.89%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 83.25% 90.93%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.05% 97.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.78% 92.94%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.76% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.33% 95.56%
CHEMBL1902 P62942 FK506-binding protein 1A 80.28% 97.05%
CHEMBL1977 P11473 Vitamin D receptor 80.02% 99.43%

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.
Cryptomeria japonica

Cross-Links

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PubChem 72815035
LOTUS LTS0264796
wikiData Q105189908