2-[(3S)-3-hydroxybutyl]-1-methylanthracene-9,10-dione

Details

• Internal ID: 63714e2e-6ca4-4921-a7f4-697e3fabe7e5
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 2-[(3S)-3-hydroxybutyl]-1-methylanthracene-9,10-dione
• InChI: InChI=1S/C19H18O3/c1-11(20)7-8-13-9-10-16-17(12(13)2)19(22)15-6-4-3-5-14(15)18(16)21/h3-6,9-11,20H,7-8H2,1-2H3/t11-/m0/s1
• InChI Key: IFOVHKGWNIARGG-NSHDSACASA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₈O₃
• Molecular Weight: 294.30 g/mol
• Exact Mass: 294.125594432 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 3.60

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
CHEMBL2581	P07339	Cathepsin D	99.51%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.24%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	89.93%	94.73%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	88.95%	96.67%
CHEMBL1907	P15144	Aminopeptidase N	88.00%	93.31%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	87.12%	96.47%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.03%	91.11%
CHEMBL2535	P11166	Glucose transporter	85.54%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.14%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.78%	99.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.76%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.39%	90.71%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	80.43%	82.69%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.40%	89.00%

Plants that contains it

• Stereospermum acuminatissimum

Cross-Links

• PubChem: 162966901
• LOTUS: LTS0069547
• wikiData: Q105112281