2-(2,3,4,7,8-Pentahydroxy-5,5-dimethyl-2,3,4,4a-tetrahydrochromen-6-yl)-2,3-dihydrochromen-4-one

Details

• Internal ID: 1b98cea0-c113-4505-8379-2e27567588ac
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
• IUPAC Name: 2-(2,3,4,7,8-pentahydroxy-5,5-dimethyl-2,3,4,4a-tetrahydrochromen-6-yl)-2,3-dihydrochromen-4-one
• InChI: InChI=1S/C20H22O8/c1-20(2)12(11-7-9(21)8-5-3-4-6-10(8)27-11)14(22)16(24)18-13(20)15(23)17(25)19(26)28-18/h3-6,11,13,15,17,19,22-26H,7H2,1-2H3
• InChI Key: OYKVSVOHAHXIEQ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₈
• Molecular Weight: 390.40 g/mol
• Exact Mass: 390.13146766 g/mol
• Topological Polar Surface Area (TPSA): 137.00 Ų
• XlogP: -0.20

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	98.23%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.89%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.13%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.43%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.03%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.67%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.07%	85.14%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	85.07%	93.40%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.07%	100.00%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	84.59%	85.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.64%	86.33%

Plants that contains it

• Erythrina abyssinica

Cross-Links

• PubChem: 44589234
• LOTUS: LTS0190513
• wikiData: Q105203370