2-Hydroxy-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one

Details

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Internal ID 846e6a3e-8d6a-463d-adbc-b834a313f7ed
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
IUPAC Name 2-hydroxy-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
SMILES (Canonical) CC1=C(C(=O)C(=C(C)C)CC1)O
SMILES (Isomeric) CC1=C(C(=O)C(=C(C)C)CC1)O
InChI InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h11H,4-5H2,1-3H3
InChI Key SLJOISSFRPVUJK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O2
Molecular Weight 166.22 g/mol
Exact Mass 166.099379685 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Hydroxy-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one

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 91.44% 95.56%
CHEMBL2581 P07339 Cathepsin D 91.42% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.86% 93.40%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.39% 99.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.72% 91.11%

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.
Mentha spicata subsp. condensata
Mentha suaveolens

Cross-Links

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PubChem 85624171
LOTUS LTS0153215
wikiData Q105255357