Sporulosaldein B

Details

• Internal ID: c3044fb9-1816-4d99-87df-9678eabee70d
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 4-hydroxy-2-methoxy-6-(2-oxopropyl)benzene-1,3-dicarbaldehyde
• InChI: InChI=1S/C12H12O5/c1-7(15)3-8-4-11(16)10(6-14)12(17-2)9(8)5-13/h4-6,16H,3H2,1-2H3
• InChI Key: GBPNBLMREURVFD-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₂O₅
• Molecular Weight: 236.22 g/mol
• Exact Mass: 236.06847348 g/mol
• Topological Polar Surface Area (TPSA): 80.70 Ų
• XlogP: 0.60

Synonyms

• 4-hydroxy-2-methoxy-6-(2-oxopropyl)benzene-1,3-dicarbaldehyde
• RefChem:185048
• CHEBI:207537

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
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	97.03%	98.11%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.05%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.63%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.66%	95.56%
CHEMBL2581	P07339	Cathepsin D	89.91%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.12%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.04%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	84.52%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.58%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.18%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682855
• LOTUS: LTS0197175
• wikiData: Q105006016