Salazinic acid

Details

• Internal ID: d634c61a-6dc9-4a9c-920d-36e5f097fffe
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers
• IUPAC Name: 5,13,17-trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
• InChI: InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3
• InChI Key: QQTKVXCQLZIJPP-UHFFFAOYSA-N
• Popularity: 145 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₂O₁₀
• Molecular Weight: 388.30 g/mol
• Exact Mass: 388.04304658 g/mol
• Topological Polar Surface Area (TPSA): 160.00 Ų
• XlogP: 1.10

Synonyms

• 521-39-1
• SALAZIC ACID
• NSC-87509
• NSC87509
• CHEMBL172439
• 1,3-dihydro-1,4,10-trihydroxy-5-(hydroxymethyl)-8-methyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde
• 1,4,10-trihydroxy-5-(hydroxymethyl)-8-methyl-3,7-dioxo-1,3-dihydro-7H-benzo[6,7][1,4]dioxepino[2,3-e]isobenzofuran-11-carbaldehyde
• Salacinicacid
• Salacinic acid
• EINECS 208-312-0
• Salazinic acid, 2
• NSC 87509
• MLS001049106
• SCHEMBL3801772
• BDBM29673
• cid_5320418
• DTXSID001317270
• AKOS030493208
• NCGC00241204-01
• NCI60_041934
• SMR000386938
• Q3604555
• trihydroxy-(hydroxymethyl)-methyl-dioxo-[?]carbaldehyde
• 1,3-Dihydro-1,4,10-trihydroxy-5-(hydroxymethyl)-8-methyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carbaldehyde
• 1,4,10-Trihydroxy-5-hydroxymethyl-8-methyl-3,7-dioxo-1,3-dihydro-7H-benzo[e]furo[3'''''''',4'''''''':3,4]benzo[b][1,4]dioxepine-11-carbaldehyde
• 5,13,17-trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
• 7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde,1,3-dihydro-1,4,10-trihydroxy-5-(hydroxymethyl)-8-methyl-3,7-dioxo-

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
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	97.55%	98.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.54%	95.56%
CHEMBL2581	P07339	Cathepsin D	96.11%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.59%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.77%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	92.75%	94.73%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	89.87%	86.92%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	89.41%	93.40%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	86.39%	91.71%
CHEMBL1951	P21397	Monoamine oxidase A	85.39%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.23%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.23%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.92%	94.00%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	81.99%	95.53%
CHEMBL1937	Q92769	Histone deacetylase 2	81.09%	94.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.46%	94.45%
CHEMBL4530	P00488	Coagulation factor XIII	80.03%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5320418
• LOTUS: LTS0083486
• wikiData: Q3604555