3,6-Dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol

Details

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Internal ID 20aec412-6302-467f-90d7-92ea6635f1d4
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
IUPAC Name 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
SMILES (Canonical) CC1CCC(C(C12CCC(=C2)C)O)C(C)C
SMILES (Isomeric) CC1CCC(C(C12CCC(=C2)C)O)C(C)C
InChI InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3
InChI Key MYLXGCVCCZCOHU-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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3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol

2D Structure

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2D Structure of 3,6-Dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.45% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.82% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.63% 97.25%
CHEMBL2581 P07339 Cathepsin D 87.67% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.66% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.25% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.27% 100.00%
CHEMBL4072 P07858 Cathepsin B 85.19% 93.67%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.17% 95.89%
CHEMBL1871 P10275 Androgen Receptor 81.89% 96.43%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 80.25% 86.00%

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
Juniperus oxycedrus
Pelargonium endlicherianum

Cross-Links

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PubChem 14286039
LOTUS LTS0254894
wikiData Q104254134