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(3R)-8-hydroxy-3-methyl-isochroman-1-one

(3R)-8-hydroxy-3-methyl-isochroman-1-one structure

CAS No:
480-33-1
Formula:
C10H10O3
Chemical Name:
(3R)-8-hydroxy-3-methyl-isochroman-1-one
Synonyms:
(R)-()-Mellein;(R)-(-)-Mellein,(S)-(+)-Mellein;(3R)-8-hydroxy-3-methyl-isochroman-1-one;(R)-3,4-Dihydro-3-methyl-8-hydroxyisocoumarin;[R,(-)]-3,4-Dihydro-3α-methyl-8-hydroxyisocoumarin;(R)-3,4-Dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one
Categories:
Natural Products > Coumarin and Derivatives

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(3R)-8-hydroxy-3-methyl-isochroman-1-one Basic Attributes

Molecular Weight：

178.187

Exact Mass：

178.062988

UNII：

Y30Y67M5SV

Characteristics

PSA：

46.53000

XLogP3：

1.86

Density：

1.3±0.1 g/cm3

Boiling Point：

392.7±42.0 °C at 760 mmHg

Flash Point：

181.3±20.7 °C

Refractive Index：

1.571

Vapor Pressure：

9.9E-07mmHg at 25°C

Drug Information

MeSH Entry Terms：

mellein

(3R)-8-hydroxy-3-methyl-isochroman-1-one Use and Manufacturing

(R)-(?)-Mellein is a dihydroisocoumarin compound produced by A. ochraceus Wilhelm. It has a variety of biological activities including antibacterial, antimalarial, antifungal, and anticancer effects. (R)-(?)-Mellein inhibits proliferation of human breast cancer (MCF-7 and MDA-MB-468) and melanoma (SK-MEL-28 and Malme-3M) cell lines with IC50 values greater than 200 μM.[Cayman Chemical]

Computed Properties

Molecular Weight:178.18
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:214
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (3R)-8-hydroxy-3-methyl-isochroman-1-one

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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(3R)-8-hydroxy-3-methyl-isochroman-1-one

CAS No.: 480-33-1

Grade: Industrial Grade

Content: 99%

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Guide of (3R)-8-hydroxy-3-methyl-isochroman-1-one

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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(3R)-8-hydroxy-3-methyl-isochroman-1-one

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