Waol A

Details

• Internal ID: c3701497-ac73-4270-a19c-48c7f2806a51
• Taxonomy: Organoheterocyclic compounds > Furopyrans
• IUPAC Name: (2R,3R,7S,7aR)-3-hydroxy-2,7-bis(prop-1-enyl)-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one
• InChI: InChI=1S/C13H16O4/c1-3-5-10-9(14)7-8-12(16-10)11(6-4-2)17-13(8)15/h3-7,9-12,14H,1-2H3/t9-,10-,11+,12-/m1/s1
• InChI Key: QXZDESIVIREXNJ-WISYIIOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.26 g/mol
• Exact Mass: 236.10485899 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 0.90

Synonyms

• RefChem:194748
• (2R,3R,7S,7aR)-3-hydroxy-2,7-bis(prop-1-enyl)-2,3,7,7a-tetrahydrofuro(3,4-b)pyran-5-one
• CHEBI:214682
• (2R,3R,7S,7aR)-3-hydroxy-2,7-bis(prop-1-enyl)-2,3,7,7a-tetrahydrouro[3,4-b]pyran-5-one

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.08%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.48%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	89.73%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	86.10%	89.34%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.33%	99.23%
CHEMBL4040	P28482	MAP kinase ERK2	84.93%	83.82%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.59%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.56%	89.00%
CHEMBL2581	P07339	Cathepsin D	83.18%	98.95%
CHEMBL3714130	P46095	G-protein coupled receptor 6	80.88%	97.36%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587273
• LOTUS: LTS0218472
• wikiData: Q77561809