2,6,10-Trimethyldodeca-2,7,9,11-tetraen-6-ol

Details

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Internal ID beca50e1-c580-4309-b123-34dcc647d138
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2,6,10-trimethyldodeca-2,7,9,11-tetraen-6-ol
SMILES (Canonical) CC(=CCCC(C)(C=CC=C(C)C=C)O)C
SMILES (Isomeric) CC(=CCCC(C)(C=CC=C(C)C=C)O)C
InChI InChI=1S/C15H24O/c1-6-14(4)10-8-12-15(5,16)11-7-9-13(2)3/h6,8-10,12,16H,1,7,11H2,2-5H3
InChI Key VJBVZYOKPWWGLN-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,6,10-Trimethyldodeca-2,7,9,11-tetraen-6-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
CHEMBL3401 O75469 Pregnane X receptor 90.89% 94.73%
CHEMBL2581 P07339 Cathepsin D 88.23% 98.95%
CHEMBL1977 P11473 Vitamin D receptor 85.42% 99.43%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.73% 96.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.42% 97.21%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 80.78% 89.34%
CHEMBL2885 P07451 Carbonic anhydrase III 80.43% 87.45%

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.
Ageratum fastigiatum

Cross-Links

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PubChem 54394644
LOTUS LTS0205796
wikiData Q105287153