(4R,7E,9E)-undeca-7,9-dien-4-ol

Details

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Internal ID 14a2f15b-5f65-4432-9fd8-4379e837997a
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (4R,7E,9E)-undeca-7,9-dien-4-ol
SMILES (Canonical) CCCC(CCC=CC=CC)O
SMILES (Isomeric) CCC[C@H](CC/C=C/C=C/C)O
InChI InChI=1S/C11H20O/c1-3-5-6-7-8-10-11(12)9-4-2/h3,5-7,11-12H,4,8-10H2,1-2H3/b5-3+,7-6+/t11-/m1/s1
InChI Key PVDUGLJIWLTBQL-MQLBMUFWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C11H20O
Molecular Weight 168.28 g/mol
Exact Mass 168.151415257 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (4R,7E,9E)-undeca-7,9-dien-4-ol

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
CHEMBL4040 P28482 MAP kinase ERK2 96.82% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.83% 96.09%
CHEMBL2581 P07339 Cathepsin D 89.28% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.72% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.07% 99.17%

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.
Oenanthe crocata
Oenanthe fistulosa

Cross-Links

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PubChem 163105589
LOTUS LTS0084737
wikiData Q105215412