2,6,10-Trimethyldodeca-3,6,11-triene-2,10-diol

Details

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Internal ID 6b100846-e5c3-49d4-8317-f1411240d0db
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol
SMILES (Canonical) CC(=CCCC(C)(C=C)O)CC=CC(C)(C)O
SMILES (Isomeric) CC(=CCCC(C)(C=C)O)CC=CC(C)(C)O
InChI InChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3
InChI Key WPGYCMWKXXCJMW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O2
Molecular Weight 238.37 g/mol
Exact Mass 238.193280068 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,6,10-Trimethyldodeca-3,6,11-triene-2,10-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
CHEMBL3401 O75469 Pregnane X receptor 89.32% 94.73%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.71% 96.95%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 84.52% 90.93%
CHEMBL2885 P07451 Carbonic anhydrase III 83.82% 87.45%
CHEMBL2581 P07339 Cathepsin D 80.97% 98.95%

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.
Geigeria ornativa
Solanum melongena

Cross-Links

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PubChem 78409367
LOTUS LTS0266179
wikiData Q105309901