3,7-Dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-ol

Details

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Internal ID 0372b806-aaf7-4d8d-b47b-b678ebd7ea34
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name 3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-ol
SMILES (Canonical) CC1=CCCC(=CC(C(CC1)C(C)C)O)C
SMILES (Isomeric) CC1=CCCC(=CC(C(CC1)C(C)C)O)C
InChI InChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14-16H,5,7-9H2,1-4H3
InChI Key PXMCURAOQSNMOZ-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 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,7-Dimethyl-10-propan-2-ylcyclodeca-2,6-dien-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
CHEMBL2581 P07339 Cathepsin D 91.16% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.09% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.75% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.90% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.39% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.44% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.11% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.87% 97.09%
CHEMBL1871 P10275 Androgen Receptor 83.21% 96.43%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.59% 95.89%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.54% 96.47%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.20% 93.56%

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.
Goyazianthus tetrastichus
Solanum tuberosum

Cross-Links

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PubChem 54213383
LOTUS LTS0242342
wikiData Q105216253