6-(2,5-Dihydroxy-6-methylhept-6-en-2-yl)-3-methylcyclohex-2-en-1-one

Details

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Internal ID 24735510-d6e2-448f-be58-05d57ef38c79
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 6-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-3-methylcyclohex-2-en-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24O3/c1-10(2)13(16)7-8-15(4,18)12-6-5-11(3)9-14(12)17/h9,12-13,16,18H,1,5-8H2,2-4H3
InChI Key BAZXJCXQRPPOEK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O3
Molecular Weight 252.35 g/mol
Exact Mass 252.17254462 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 2.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-(2,5-Dihydroxy-6-methylhept-6-en-2-yl)-3-methylcyclohex-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 98.42% 97.25%
CHEMBL2581 P07339 Cathepsin D 97.71% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.11% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.59% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.54% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.67% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.85% 95.56%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 87.13% 96.47%
CHEMBL1871 P10275 Androgen Receptor 85.52% 96.43%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.40% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.02% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.78% 89.00%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 80.32% 90.93%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 73201021
LOTUS LTS0085553
wikiData Q104922576