6,10-Bis(hydroxymethyl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol

Details

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Internal ID 2640cd10-3044-498f-9649-2aacf65d83a0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name 6,10-bis(hydroxymethyl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H34O4/c1-17(2)6-3-7-18(14-22)8-4-9-19(15-23)10-5-11-20(16-24)12-13-21/h6,8,10,12,21-24H,3-5,7,9,11,13-16H2,1-2H3
InChI Key MWFNTTCPIZHSQH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O4
Molecular Weight 338.50 g/mol
Exact Mass 338.24570956 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,10-Bis(hydroxymethyl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.91% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.55% 91.11%
CHEMBL2581 P07339 Cathepsin D 81.09% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.03% 99.17%

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.
Viguiera gilliesii

Cross-Links

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PubChem 163032338
LOTUS LTS0199891
wikiData Q105173548