(1E,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene

Details

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Internal ID 9ff072b3-949f-4918-8d57-afbab8d563f9
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
IUPAC Name (1E,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene
SMILES (Canonical) CC1=CCCC(=CC=CCC1)C
SMILES (Isomeric) C/C/1=C/CC/C(=C/C=C\CC1)/C
InChI InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3-,11-7+,12-10-
InChI Key ACTKFDMFHYIKRY-KCWZREBISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H18
Molecular Weight 162.27 g/mol
Exact Mass 162.140850574 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1E,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.70% 95.56%
CHEMBL4208 P20618 Proteasome component C5 82.99% 90.00%

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.
Ruta graveolens

Cross-Links

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PubChem 15714486
LOTUS LTS0090049
wikiData Q104909281