1-O-(2-aminobenzoyl)-alpha-L-rhamnoside

Details

• Internal ID: 653496e0-b25b-4cfb-94e5-bc6b3f5be178
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses
• IUPAC Name: [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 2-aminobenzoate
• SMILES (Canonical): CC1C(C(C(C(O1)OC(=O)C2=CC=CC=C2N)O)O)O
• SMILES (Isomeric): C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CC=CC=C2N)O)O)O
• InChI: InChI=1S/C13H17NO6/c1-6-9(15)10(16)11(17)13(19-6)20-12(18)7-4-2-3-5-8(7)14/h2-6,9-11,13,15-17H,14H2,1H3/t6-,9-,10+,11+,13-/m0/s1
• InChI Key: JPBLMJWFNVIEST-PGRGYFNBSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₇NO₆
• Molecular Weight: 283.28 g/mol
• Exact Mass: 283.10558726 g/mol
• Topological Polar Surface Area (TPSA): 122.00 Ų
• XlogP: 0.00

Synonyms

• CHEBI:200962
• [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 2-aminobenzoate

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	96.72%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.31%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.84%	86.33%
CHEMBL3714130	P46095	G-protein coupled receptor 6	91.64%	97.36%
CHEMBL3401	O75469	Pregnane X receptor	91.22%	94.73%
CHEMBL2581	P07339	Cathepsin D	88.54%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.93%	95.56%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	85.35%	83.00%
CHEMBL221	P23219	Cyclooxygenase-1	84.46%	90.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.49%	94.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10589019
• LOTUS: LTS0236510
• wikiData: Q77280762