(6E,10R,11E,14E)-10,16-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,14-tetraen-4-one

Details

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Internal ID 11a009cc-e3fd-4e34-9553-599b3bfbb267
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name (6E,10R,11E,14E)-10,16-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,14-tetraen-4-one
SMILES (Canonical) CC(=CC(=O)CC(=CCCC(C)(C=CCC(=CCO)C)O)C)C
SMILES (Isomeric) CC(=CC(=O)C/C(=C/CC[C@](C)(/C=C/C/C(=C/CO)/C)O)/C)C
InChI InChI=1S/C20H32O3/c1-16(2)14-19(22)15-18(4)9-7-12-20(5,23)11-6-8-17(3)10-13-21/h6,9-11,14,21,23H,7-8,12-13,15H2,1-5H3/b11-6+,17-10+,18-9+/t20-/m0/s1
InChI Key DKSTUBPHCLFFAR-WIGMPXBQSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H32O3
Molecular Weight 320.50 g/mol
Exact Mass 320.23514488 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (6E,10R,11E,14E)-10,16-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,14-tetraen-4-one

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
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 92.18% 89.34%
CHEMBL3401 O75469 Pregnane X receptor 91.00% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.19% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.01% 96.95%
CHEMBL2581 P07339 Cathepsin D 85.55% 98.95%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.95% 94.33%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 81.64% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.60% 96.09%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.16% 91.07%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 80.91% 96.90%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 80.81% 97.47%
CHEMBL2664 P23526 Adenosylhomocysteinase 80.69% 86.67%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 163027324
LOTUS LTS0214794
wikiData Q104983700