Spiro[4.5]dec-8-en-7-ol, 1,8-dimethyl-4-(1-methylethyl)-

Details

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Internal ID 63312712-d34c-4800-aa52-d4745c97a33b
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
IUPAC Name 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-ol
SMILES (Canonical) CC1CCC(C12CC=C(C(C2)O)C)C(C)C
SMILES (Isomeric) CC1CCC(C12CC=C(C(C2)O)C)C(C)C
InChI InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-14,16H,5-6,8-9H2,1-4H3
InChI Key WBVRKDUUNZBZET-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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Spiro[4.5]dec-8-en-7-ol, 1,8-dimethyl-4-(1-methylethyl)-
DTXSID40343766
WBVRKDUUNZBZET-UHFFFAOYSA-N
1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-ol #
Spiro[4.5]dec-8-en-7-ol, 4,8-dimethyl-1-(1-methylethyl)-

2D Structure

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2D Structure of Spiro[4.5]dec-8-en-7-ol, 1,8-dimethyl-4-(1-methylethyl)-

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 93.74% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.80% 96.09%
CHEMBL2581 P07339 Cathepsin D 87.53% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.14% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.80% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.08% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.41% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.28% 90.71%
CHEMBL4444 P04070 Vitamin K-dependent protein C 82.15% 93.89%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 81.64% 96.38%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 81.51% 86.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.38% 93.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.62% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.48% 91.11%

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 592066
LOTUS LTS0089173
wikiData Q82115259