(3R,5Z)-2,6-dimethylocta-1,5,7-trien-3-ol

Details

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Internal ID 985447fd-f9d9-43dc-9acb-2d5700000d20
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name (3R,5Z)-2,6-dimethylocta-1,5,7-trien-3-ol
SMILES (Canonical) CC(=C)C(CC=C(C)C=C)O
SMILES (Isomeric) CC(=C)[C@@H](C/C=C(/C)\C=C)O
InChI InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3/b9-6-/t10-/m1/s1
InChI Key TYDDWHVJHGIJCW-ABRRARGCSA-N
Popularity 0 references 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 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3R,5Z)-2,6-dimethylocta-1,5,7-trien-3-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
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 93.18% 97.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.84% 96.09%
CHEMBL2581 P07339 Cathepsin D 88.12% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.83% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 83.62% 83.82%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.20% 85.14%

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.
Citrus maxima

Cross-Links

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PubChem 92256190
LOTUS LTS0097711
wikiData Q105267254