1-Sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl hydrogen sulfate

Details

• Internal ID: c330ab5c-f494-45cb-bdfb-2642331e0840
• Taxonomy: Organic acids and derivatives > Organic sulfuric acids and derivatives > Sulfuric acid esters > Sulfuric acid monoesters
• IUPAC Name: 1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl hydrogen sulfate
• InChI: InChI=1S/C23H24O8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(31-33(27,28)29)22-30-32(24,25)26/h1,3-4,9-10,23H,5-8,15-17,22H2,(H,24,25,26)(H,27,28,29)
• InChI Key: GQUYGXMGQSYNKX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₄O₈S₂
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.09126007 g/mol
• Topological Polar Surface Area (TPSA): 144.00 Ų
• XlogP: 3.90

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
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.66%	96.00%
CHEMBL2581	P07339	Cathepsin D	91.41%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.04%	96.09%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	88.32%	96.38%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.84%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.50%	95.56%
CHEMBL1744525	P43490	Nicotinamide phosphoribosyltransferase	82.89%	96.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.53%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 393628
• LOTUS: LTS0136402
• wikiData: Q105015587