CAS 129145-54-6 | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)- | CAS Number 129145-54-6

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129145-54-6 | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-

CAS No: 129145-54-6 Catalog No: AG000YVX MDL No:

Product Description

Catalog Number:

AG000YVX

Chemical Name:

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-

CAS Number:

129145-54-6

Molecular Formula:

C20H18O7

Molecular Weight:

370.3527

IUPAC Name:

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)chromen-4-one

InChI:

InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15-16(17(11)24)18(25)19(26)20(27-15)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3

InChI Key:

OCIIFJFJVOTFTN-UHFFFAOYSA-N

SMILES:

CC(=CCc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)O)C

Properties

Complexity:

636

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

370.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

370.357g/mol

Monoisotopic Mass:

370.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

127A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Aromatase inhibitors from Broussonetia papyrifera.	Journal of natural products 20011001
Flavonoids from the stem bark of Bolusanthus speciosus.	Phytochemistry 20010401
Cytotoxic activity of low molecular weight polyphenols against human oral tumor cell lines.	Anticancer research 20000101