1,7-Dimethylcyclodeca-1,3,7-triene

Details

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Internal ID fcf193bd-5083-4eff-8058-069b937a09c3
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
IUPAC Name 1,7-dimethylcyclodeca-1,3,7-triene
SMILES (Canonical) CC1=CCCC(=CC=CCC1)C
SMILES (Isomeric) CC1=CCCC(=CC=CCC1)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
InChI Key ACTKFDMFHYIKRY-UHFFFAOYSA-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 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.
Geijera parviflora
Pimpinella anisum
Rubus rosifolius
Ruta graveolens

Cross-Links

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PubChem 555328
LOTUS LTS0090900
wikiData Q104909286