Sclerotinin B

Details

• Internal ID: 5b8a2fde-cc37-4dbb-8875-ee94f2ed192b
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
• IUPAC Name: 3,6,8-trihydroxy-3,5,7-trimethyl-4H-isochromen-1-one
• InChI: InChI=1S/C12H14O5/c1-5-7-4-12(3,16)17-11(15)8(7)10(14)6(2)9(5)13/h13-14,16H,4H2,1-3H3
• InChI Key: GWCJDGBOQAPHGT-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₄O₅
• Molecular Weight: 238.24 g/mol
• Exact Mass: 238.08412354 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 2.00

Synonyms

• 27678-57-5
• 3,4-Dihydro-3,5,7-trimethyl-3,6,8-trihydroxy-1H-2-benzopyran-1-one
• CHEMBL510199
• BS-1448
• 3,6,8-trihydroxy-3,5,7-trimethyl-4H-isochromen-1-one
• 3,4-di-hydro 3,5,7-trimethyl-3,6,8-trihydroxy isocoumarin

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.34%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.18%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.44%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.12%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.26%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.14%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.40%	89.00%
CHEMBL4208	P20618	Proteasome component C5	84.06%	90.00%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	81.96%	96.21%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 12315415
• LOTUS: LTS0071260
• wikiData: Q77564863