1-Methyl-4-(1-methyl-2-prop-1-en-2-ylcyclobutyl)cyclohexene

Details

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Internal ID cabc0c2a-c505-4f5f-a30e-4ff99b1259c8
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
IUPAC Name 1-methyl-4-(1-methyl-2-prop-1-en-2-ylcyclobutyl)cyclohexene
SMILES (Canonical) CC1=CCC(CC1)C2(CCC2C(=C)C)C
SMILES (Isomeric) CC1=CCC(CC1)C2(CCC2C(=C)C)C
InChI InChI=1S/C15H24/c1-11(2)14-9-10-15(14,4)13-7-5-12(3)6-8-13/h5,13-14H,1,6-10H2,2-4H3
InChI Key UKALNKISFJHNPX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-Methyl-4-(1-methyl-2-prop-1-en-2-ylcyclobutyl)cyclohexene

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.32% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.31% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.96% 100.00%
CHEMBL1871 P10275 Androgen Receptor 87.49% 96.43%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.45% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.52% 95.56%

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.
Cupressus macrocarpa

Cross-Links

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PubChem 73804521
LOTUS LTS0259859
wikiData Q105274396