(3S)-3-ethenyl-5-methyl-2-methylidenehex-4-en-1-ol

Details

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Internal ID 05816883-bf27-4ae8-8c23-159aa9e671a3
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (3S)-3-ethenyl-5-methyl-2-methylidenehex-4-en-1-ol
SMILES (Canonical) CC(=CC(C=C)C(=C)CO)C
SMILES (Isomeric) CC(=C[C@H](C=C)C(=C)CO)C
InChI InChI=1S/C10H16O/c1-5-10(6-8(2)3)9(4)7-11/h5-6,10-11H,1,4,7H2,2-3H3/t10-/m0/s1
InChI Key DZKBAGWCZKHKBQ-JTQLQIEISA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C10H16O
Molecular Weight 152.23 g/mol
Exact Mass 152.120115130 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3S)-3-ethenyl-5-methyl-2-methylidenehex-4-en-1-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.03% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.88% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.49% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.64% 91.11%
CHEMBL2885 P07451 Carbonic anhydrase III 84.39% 87.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.34% 97.29%

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 tridentata

Cross-Links

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PubChem 101293645
LOTUS LTS0019886
wikiData Q104991842