8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxo-4H-naphthalen-2-yl)-4-methoxy-6-methyl-4H-naphthalen-1-one

Details

• Internal ID: f3cfb108-84c4-4446-ae28-615757ea4712
• Taxonomy: Benzenoids > Naphthalenes
• IUPAC Name: 8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxo-4H-naphthalen-2-yl)-4-methoxy-6-methyl-4H-naphthalen-1-one
• SMILES (Canonical): CC1=CC2=C(C(=C1)O)C(=O)C(=CC2OC)C3=CC(C4=C(C3=O)C(=CC(=C4)C)O)OC
• SMILES (Isomeric): CC1=CC2=C(C(=C1)O)C(=O)C(=CC2OC)C3=CC(C4=C(C3=O)C(=CC(=C4)C)O)OC
• InChI: InChI=1S/C24H22O6/c1-11-5-15-19(29-3)9-13(23(27)21(15)17(25)7-11)14-10-20(30-4)16-6-12(2)8-18(26)22(16)24(14)28/h5-10,19-20,25-26H,1-4H3
• InChI Key: BCJZNJYVRTUZBS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₂₂O₆
• Molecular Weight: 406.40 g/mol
• Exact Mass: 406.14163842 g/mol
• Topological Polar Surface Area (TPSA): 93.10 Ų
• XlogP: 4.20

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.48%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.37%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.16%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.54%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.61%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.96%	89.00%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	84.46%	93.03%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.84%	94.80%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.06%	93.40%

Plants that contains it

• Euclea crispa

Cross-Links

• PubChem: 162897939
• LOTUS: LTS0090087
• wikiData: Q104923450