Irpexlacte B

Details

Top
Internal ID 16df522e-af78-4b18-9865-5b8eaa243142
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Aryl-aldehydes
IUPAC Name 5-[(2S)-2-hydroxypentyl]furan-2-carbaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14O3/c1-2-3-8(12)6-9-4-5-10(7-11)13-9/h4-5,7-8,12H,2-3,6H2,1H3/t8-/m0/s1
InChI Key NMSLCEMARUXSCV-QMMMGPOBSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H14O3
Molecular Weight 182.22 g/mol
Exact Mass 182.094294304 g/mol
Topological Polar Surface Area (TPSA) 50.40 Ų
XlogP 1.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Irpexlacte B

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 94.59% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.03% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 90.01% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.95% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.66% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.38% 93.56%
CHEMBL4105838 Q96GG9 DCN1-like protein 1 81.63% 95.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.24% 86.33%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 146682523
LOTUS LTS0022146
wikiData Q105181945