Parimycin

Details

• Internal ID: d8a265f7-0f34-4d94-bd8c-8532d1dd56a1
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 7,12-dihydroxy-2-(2-hydroxybutan-2-yl)-5-methyl-9,10-dihydronaphtho[7,6-h]chromene-4,8,11-trione
• SMILES (Canonical): CCC(C)(C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=C4C(=O)CCC(=O)C4=C3O)O)O
• SMILES (Isomeric): CCC(C)(C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=C4C(=O)CCC(=O)C4=C3O)O)O
• InChI: InChI=1S/C22H20O7/c1-4-22(3,28)14-8-13(25)15-9(2)7-10-16(21(15)29-14)20(27)18-12(24)6-5-11(23)17(18)19(10)26/h7-8,26-28H,4-6H2,1-3H3
• InChI Key: CAICRNNJVRUMNG-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₀O₇
• Molecular Weight: 396.40 g/mol
• Exact Mass: 396.12090297 g/mol
• Topological Polar Surface Area (TPSA): 121.00 Ų
• XlogP: 3.00

Synonyms

• 7,12-dihydroxy-2-(2-hydroxybutan-2-yl)-5-methyl-9,10-dihydronaphtho(7,6-h)chromene-4,8,11-trione
• 7,12-dihydroxy-2-(2-hydroxybutan-2-yl)-5-methyl-9,10-dihydronaphtho[7,6-h]chromene-4,8,11-trione
• 2,3-dihydroquinizarin
• RefChem:170084
• orb3023909
• SCHEMBL17866873
• 557762-47-7

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	99.14%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.52%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.18%	85.14%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	94.82%	89.34%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.77%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	92.12%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.53%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.81%	94.00%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	89.08%	93.65%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.86%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	86.30%	93.99%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.23%	99.23%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	83.78%	96.21%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	83.64%	90.93%
CHEMBL1871	P10275	Androgen Receptor	81.88%	96.43%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.42%	95.89%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	80.40%	93.04%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10862189
• LOTUS: LTS0028507
• wikiData: Q77518216