4,9,10,11,12-pentahydroxy-11,12-dihydro-10H-perylen-3-one

Details

• Internal ID: 62e035d5-3ba5-4e08-b330-e2aebd097f5b
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Phenanthrols
• IUPAC Name: 4,9,10,11,12-pentahydroxy-11,12-dihydro-10H-perylen-3-one
• SMILES (Canonical): C1=CC(=C2C(C(C(C3=C2C1=C4C=CC(=C5C4=C3C=CC5=O)O)O)O)O)O
• SMILES (Isomeric): C1=CC(=C2C(C(C(C3=C2C1=C4C=CC(=C5C4=C3C=CC5=O)O)O)O)O)O
• InChI: InChI=1S/C20H14O6/c21-10-4-1-7-8-2-5-12(23)17-14(8)15(18(24)20(26)19(17)25)9-3-6-11(22)16(10)13(7)9/h1-6,18-21,23-26H
• InChI Key: LYFFSXMYKSNTOT-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₄O₆
• Molecular Weight: 350.30 g/mol
• Exact Mass: 350.07903816 g/mol
• Topological Polar Surface Area (TPSA): 118.00 Ų
• XlogP: 1.70

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	98.78%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	95.09%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.56%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.50%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.35%	94.45%
CHEMBL2581	P07339	Cathepsin D	86.38%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.35%	99.15%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.90%	99.23%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	84.54%	96.67%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	83.98%	85.94%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162815421
• LOTUS: LTS0079573
• wikiData: Q104171452