2,6-Dimethylocta-2,7-diene-1,6-diol

Details

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Internal ID f9cc267e-1432-4978-b864-ec74bbd1d672
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name 2,6-dimethylocta-2,7-diene-1,6-diol
SMILES (Canonical) CC(=CCCC(C)(C=C)O)CO
SMILES (Isomeric) CC(=CCCC(C)(C=C)O)CO
InChI InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3
InChI Key NSMIMJYEKVSYMT-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C10H18O2
Molecular Weight 170.25 g/mol
Exact Mass 170.130679813 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.50

Synonyms

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SY311752

2D Structure

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2D Structure of 2,6-Dimethylocta-2,7-diene-1,6-diol

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
CHEMBL2581 P07339 Cathepsin D 86.55% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 86.04% 94.73%
CHEMBL1977 P11473 Vitamin D receptor 85.21% 99.43%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 84.04% 90.93%

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.
Actinidia arguta
Artemisia xerophytica
Ophryosporus lorentzii
Rosa gallica
Saussurea cordifolia
Stevia breviaristata

Cross-Links

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PubChem 188028
LOTUS LTS0223715
wikiData Q105185122