6-Methoxy-3-(methoxymethyl)-7-methylocta-1,7-dien-3-ol

Details

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Internal ID d8a553dd-c888-41b6-a7ca-67b0d0373b67
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
IUPAC Name 6-methoxy-3-(methoxymethyl)-7-methylocta-1,7-dien-3-ol
SMILES (Canonical) CC(=C)C(CCC(COC)(C=C)O)OC
SMILES (Isomeric) CC(=C)C(CCC(COC)(C=C)O)OC
InChI InChI=1S/C12H22O3/c1-6-12(13,9-14-4)8-7-11(15-5)10(2)3/h6,11,13H,1-2,7-9H2,3-5H3
InChI Key YVORMDDFZMHTHT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H22O3
Molecular Weight 214.30 g/mol
Exact Mass 214.15689456 g/mol
Topological Polar Surface Area (TPSA) 38.70 Ų
XlogP 1.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-Methoxy-3-(methoxymethyl)-7-methylocta-1,7-dien-3-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
CHEMBL4040 P28482 MAP kinase ERK2 96.46% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.49% 91.11%
CHEMBL2581 P07339 Cathepsin D 89.37% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.62% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.79% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.15% 85.14%

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 14865332
LOTUS LTS0082391
wikiData Q105365757