Saliniquinone C

Details

• Internal ID: 4886da88-fcfe-46df-bb31-d62569263b1e
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 2-[(2S)-3-chloro-2-hydroxypent-4-en-2-yl]-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione
• SMILES (Canonical): CC(C1=CC(=O)C2=C(O1)C3=C(C=C2CO)C(=O)C4=C(C3=O)C(=CC=C4)O)(C(C=C)Cl)O
• SMILES (Isomeric): C[C@](C1=CC(=O)C2=C(O1)C3=C(C=C2CO)C(=O)C4=C(C3=O)C(=CC=C4)O)(C(C=C)Cl)O
• InChI: InChI=1S/C23H17ClO7/c1-3-15(24)23(2,30)16-8-14(27)17-10(9-25)7-12-19(22(17)31-16)21(29)18-11(20(12)28)5-4-6-13(18)26/h3-8,15,25-26,30H,1,9H2,2H3/t15?,23-/m1/s1
• InChI Key: CCKSAOGDLWJWSZ-RYDFDWSBSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₁₇ClO₇
• Molecular Weight: 440.80 g/mol
• Exact Mass: 440.0662806 g/mol
• Topological Polar Surface Area (TPSA): 121.00 Ų
• XlogP: 2.40

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	99.37%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.35%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	98.31%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.71%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	97.23%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.68%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.21%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.06%	99.23%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.73%	89.34%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	83.89%	100.00%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	83.62%	96.67%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.19%	94.00%
CHEMBL4530	P00488	Coagulation factor XIII	81.57%	96.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.23%	86.92%

Plants that contains it

• Thespesia populnea

Cross-Links

• PubChem: 46703895
• LOTUS: LTS0188826
• wikiData: Q105304207