(6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one

Details

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Internal ID 3bc08cf1-ce2c-4b3c-ad70-ec03768ca4fe
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24O2/c1-6-15(5,17)11-7-8-13(4)14(16)10-9-12(2)3/h6,8-9,17H,1,7,10-11H2,2-5H3/b13-8+/t15-/m1/s1
InChI Key MUORSVLFTLIZJO-XETPBLJFSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O2
Molecular Weight 236.35 g/mol
Exact Mass 236.177630004 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-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
CHEMBL3401 O75469 Pregnane X receptor 92.01% 94.73%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 88.42% 91.24%
CHEMBL2581 P07339 Cathepsin D 85.17% 98.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 83.69% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.07% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.42% 99.17%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.03% 91.07%

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.
Artemisia douglasiana

Cross-Links

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PubChem 163058728
LOTUS LTS0073676
wikiData Q105172598