6-Methyl-3-propan-2-ylhepta-4,6-dien-1-ol

Details

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Internal ID 4c65123d-cfa4-4b9c-81cd-bc1dce65f75d
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol
SMILES (Canonical) CC(C)C(CCO)C=CC(=C)C
SMILES (Isomeric) CC(C)C(CCO)C=CC(=C)C
InChI InChI=1S/C11H20O/c1-9(2)5-6-11(7-8-12)10(3)4/h5-6,10-12H,1,7-8H2,2-4H3
InChI Key OWXDIPXDTAMOOI-UHFFFAOYSA-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 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-Methyl-3-propan-2-ylhepta-4,6-dien-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 90.08% 96.09%
CHEMBL2581 P07339 Cathepsin D 86.66% 98.95%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 83.39% 97.34%
CHEMBL2885 P07451 Carbonic anhydrase III 83.14% 87.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 82.34% 97.29%
CHEMBL1977 P11473 Vitamin D receptor 80.50% 99.43%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.12% 94.45%

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.
Nicotiana tabacum

Cross-Links

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PubChem 54173872
LOTUS LTS0262643
wikiData Q105202367