Isoprekinamycin

Details

• Internal ID: 50a890fa-a0ff-4d5f-b421-1e31f8341c88
• Taxonomy: Benzenoids > Fluorenes
• IUPAC Name: 5-diazo-1,7-dihydroxy-3-methylbenzo[a]fluorene-6,11-dione
• InChI: InChI=1S/C18H10N2O4/c1-7-5-9-13(11(22)6-7)14-15(18(24)16(9)20-19)12-8(17(14)23)3-2-4-10(12)21/h2-6,21-22H,1H3
• InChI Key: OWPHUUBRUYFHMJ-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₀N₂O₄
• Molecular Weight: 318.30 g/mol
• Exact Mass: 318.06405680 g/mol
• Topological Polar Surface Area (TPSA): 76.60 Ų
• XlogP: 2.40

Synonyms

• 5-diazo-1,7-dihydroxy-3-methylbenzo(a)fluorene-6,11-dione
• 5-diazo-1,7-dihydroxy-3-methylbenzo[a]fluorene-6,11-dione
• RefChem:149780
• CHEBI:212252
• 5-diazo-1,7-dihydroxy-3-methylbenzo[a]luorene-6,11-dione

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.93%	95.56%
CHEMBL2581	P07339	Cathepsin D	96.47%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.41%	91.11%
CHEMBL3192	Q9BY41	Histone deacetylase 8	94.39%	93.99%
CHEMBL1951	P21397	Monoamine oxidase A	93.76%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.98%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.87%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.37%	99.15%
CHEMBL3401	O75469	Pregnane X receptor	86.93%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.20%	99.23%
CHEMBL1937	Q92769	Histone deacetylase 2	82.23%	94.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.89%	94.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16748289
• LOTUS: LTS0110101
• wikiData: Q77558791