Carnemycin D

Details

• Internal ID: 49d77c03-950f-4990-a124-2c26bcbe2a8b
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
• IUPAC Name: methyl 6-[(3E,5E)-hepta-3,5-dienyl]-2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
• InChI: InChI=1S/C21H28O9/c1-3-4-5-6-7-8-11-9-12(23)15(17(25)14(11)21(28)29-2)20-19(27)18(26)16(24)13(10-22)30-20/h3-6,9,13,16,18-20,22-27H,7-8,10H2,1-2H3/b4-3+,6-5+/t13-,16-,18+,19-,20+/m1/s1
• InChI Key: MCNSWHLADXTFRI-DNSZZWQPSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₈O₉
• Molecular Weight: 424.40 g/mol
• Exact Mass: 424.17333247 g/mol
• Topological Polar Surface Area (TPSA): 157.00 Ų
• XlogP: 1.40

Synonyms

• CHEMBL4468319

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	99.59%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	96.75%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.73%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	94.85%	94.73%
CHEMBL2581	P07339	Cathepsin D	92.69%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.43%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.37%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.95%	96.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.35%	89.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.71%	94.45%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.41%	92.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 145720914
• LOTUS: LTS0168006
• wikiData: Q105161325