2-hydroxy-1H-phenalen-1-one

Details

• Internal ID: c57d223b-6dc2-42b6-bd18-10d7505b7308
• Taxonomy: Benzenoids > Phenalenes > Phenalenones
• IUPAC Name: 2-hydroxyphenalen-1-one
• SMILES (Canonical): C1=CC2=C3C(=C1)C=C(C(=O)C3=CC=C2)O
• SMILES (Isomeric): C1=CC2=C3C(=C1)C=C(C(=O)C3=CC=C2)O
• InChI: InChI=1S/C13H8O2/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-7,14H
• InChI Key: NCBYJFISWDYMDW-UHFFFAOYSA-N
• Popularity: 15 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₈O₂
• Molecular Weight: 196.20 g/mol
• Exact Mass: 196.052429494 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 3.00

Synonyms

• hydroxyphenalenone
• 10505-79-0
• CHEMBL227815
• SCHEMBL2842601
• DTXSID90505514

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
CHEMBL1951	P21397	Monoamine oxidase A	97.85%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.28%	95.56%
CHEMBL2581	P07339	Cathepsin D	94.25%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.85%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.17%	99.23%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	89.03%	96.67%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	85.87%	83.57%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	85.62%	82.69%
CHEMBL2535	P11166	Glucose transporter	85.58%	98.75%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	84.15%	93.03%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.00%	86.33%

Plants that contains it

• Musa acuminata

Cross-Links

• PubChem: 12644642
• LOTUS: LTS0220432
• wikiData: Q82360706