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Chemical structure of Methyl rosmarinate

GC36595

Methyl rosmarinate

Also known as methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate

Methyl rosmarinate is a noncompetitive tyrosinase inhibitor which is isolated from Rabdosia serra, with an IC50 of 0·28 mM for mushroom tyrosinase, and also inhibits a-glucosidase

ChemicalCAS99353-00-1MW374.34FormulaC19H18O8
CAS number
99353-00-1
Molecular weight
374.34
Formula
C19H18O8
Solubility
Soluble in DMSO
InChIKey
XHALVRQBZGZHFE-BBOMDTFKSA-N
Catalogue number
GC36595
Brand
GLPBIO
Computed properties PubChem CID 6479915 · XLogP 2.7 · TPSA 134 Ų · H-bond donors 4
XLogP
2.7
TPSA
134 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
27

SMILES COC(=O)[C@@H](CC1=CC(=C(C=C1)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O

Computed descriptors from PubChem (CID 6479915), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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