Nona-4,6,8-triene-2,3-diol

Details

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Internal ID acdcc31d-881e-43fd-a0ee-f17b6903c351
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name nona-4,6,8-triene-2,3-diol
SMILES (Canonical) CC(C(C=CC=CC=C)O)O
SMILES (Isomeric) CC(C(C=CC=CC=C)O)O
InChI InChI=1S/C9H14O2/c1-3-4-5-6-7-9(11)8(2)10/h3-11H,1H2,2H3
InChI Key UFYPYMBVDNCACU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C9H14O2
Molecular Weight 154.21 g/mol
Exact Mass 154.099379685 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Nona-4,6,8-triene-2,3-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 84.59% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.53% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.17% 97.29%

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 73192219
LOTUS LTS0079917
wikiData Q105272208