Yoshixol

Details

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Internal ID aa0ef951-2b3d-4908-ac5f-a97145c5b7b9
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Quinomethanes > O-quinomethanes
IUPAC Name 4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
SMILES (Canonical) CC1(CC(=C)C(=O)C=C1)C
SMILES (Isomeric) CC1(CC(=C)C(=O)C=C1)C
InChI InChI=1S/C9H12O/c1-7-6-9(2,3)5-4-8(7)10/h4-5H,1,6H2,2-3H3
InChI Key ZSEVBQPHUVQVFD-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C9H12O
Molecular Weight 136.19 g/mol
Exact Mass 136.088815002 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 2.30

Synonyms

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SCHEMBL1478833
4,4-dimethyl-6-methylidenecyclohex-2-en-1-one

2D Structure

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2D Structure of Yoshixol

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
CHEMBL2581 P07339 Cathepsin D 89.71% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.09% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.12% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.72% 94.45%

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.
Chamaecyparis obtusa

Cross-Links

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PubChem 10219461
LOTUS LTS0149750
wikiData Q105382474