Arthropsadiol B

Details

• Internal ID: cdf607d1-38e7-488c-a55c-28b773137d44
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
• IUPAC Name: (4S,5S,6R)-6-hydroxy-5-(2-hydroxypropanoyl)-4-[(E)-prop-1-enyl]cyclohex-2-en-1-one
• InChI: InChI=1S/C12H16O4/c1-3-4-8-5-6-9(14)12(16)10(8)11(15)7(2)13/h3-8,10,12-13,16H,1-2H3/b4-3+/t7?,8-,10+,12-/m0/s1
• InChI Key: HVMKQUCBQJNJSQ-LYLXNWQCSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.25 g/mol
• Exact Mass: 224.10485899 g/mol
• Topological Polar Surface Area (TPSA): 74.60 Ų
• XlogP: 0.80

Synonyms

There are no found synonyms.

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
CHEMBL4040	P28482	MAP kinase ERK2	97.88%	83.82%
CHEMBL2581	P07339	Cathepsin D	94.86%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.49%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.82%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.98%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.88%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.31%	89.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.27%	97.25%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587119
• LOTUS: LTS0199059
• wikiData: Q77521781