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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP071695

Neohesperidin dihydrochalcone

Formula: C28H36O15  |  Mol. Weight: 612.60 g/mol

IUPAC: 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

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Overview

Molecular Formula C28H36O15
Molecular Weight 612.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets

Disease Associations