Cystochromone G

Details

• Internal ID: 6cf74fc8-b6fb-4d1e-8a74-1a3f4e1d390e
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
• IUPAC Name: 7-hydroxy-5-(13-hydroxy-13-methyltetradecyl)-2-(2-oxopropyl)chromen-4-one
• InChI: InChI=1S/C27H40O5/c1-20(28)16-23-19-24(30)26-21(17-22(29)18-25(26)32-23)14-12-10-8-6-4-5-7-9-11-13-15-27(2,3)31/h17-19,29,31H,4-16H2,1-3H3
• InChI Key: SEWMKBAMJNKEQR-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₄₀O₅
• Molecular Weight: 444.60 g/mol
• Exact Mass: 444.28757437 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 6.60

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.44%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	96.74%	94.73%
CHEMBL2581	P07339	Cathepsin D	96.26%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.13%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.76%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.87%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.57%	96.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.64%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.66%	90.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.93%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139588617
• LOTUS: LTS0084722
• wikiData: Q104197229