Sclerin

Details

• Internal ID: 95805587-5a49-4f5c-9577-61578821f2da
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans
• IUPAC Name: 8-hydroxy-4,5,6,7-tetramethyl-4H-isochromene-1,3-dione
• InChI: InChI=1S/C13H14O4/c1-5-6(2)9-8(4)12(15)17-13(16)10(9)11(14)7(5)3/h8,14H,1-4H3
• InChI Key: PXPDDNZJJKVTBG-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄O₄
• Molecular Weight: 234.25 g/mol
• Exact Mass: 234.08920892 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 3.10

Synonyms

• 13277-76-4
• 8-hydroxy-4,5,6,7-tetramethyl-4H-isochromene-1,3-dione
• ELE52K6XDK
• NSC-124473
• RefChem:181900
• (+)-8-Hydroxy-4,5,6,7-tetramethyl-1H-2-benzopyran-1,3(4H)-dione
• NSC124473
• NSC 124473
• UNII-ELE52K6XDK
• TN12913
• 1H-2-Benzopyran-1,3(4H)-dione, 8-hydroxy-4,5,6,7-tetramethyl-, (+)-

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	91.81%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.40%	99.23%
CHEMBL2581	P07339	Cathepsin D	90.31%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.40%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.54%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.04%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	80.97%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 98411
• LOTUS: LTS0084375
• wikiData: Q77500478