CAS 1151-98-0 | 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride (1:1) | CAS Number 1151-98-0

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1151-98-0 | 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride (1:1)

CAS No: 1151-98-0 Catalog No: AG000FWF MDL No:

Product Description

Catalog Number:

AG000FWF

Chemical Name:

1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride (1:1)

CAS Number:

1151-98-0

Molecular Formula:

C15H11ClO4

Molecular Weight:

290.6984

IUPAC Name:

2-(4-hydroxyphenyl)chromenylium-5,7-diol;chloride

InChI:

InChI=1S/C15H10O4.ClH/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14;/h1-8H,(H2-,16,17,18);1H

InChI Key:

GYQDOAKHUGURPD-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)c1ccc2c([o+]1)cc(cc2O)O.[Cl-]

UNII:

CWI2JJB0W1

NSC Number:

60167

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.699g/mol

Monoisotopic Mass:

290.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Host specificity of Sporisorium reilianum is tightly linked to generation of the phytoalexin luteolinidin by Sorghum bicolor.	Molecular plant-microbe interactions : MPMI 20120901
Uncommonly high levels of 3-deoxyanthocyanidins and antioxidant capacity in the leaf sheaths of dye sorghum.	Journal of agricultural and food chemistry 20110223
Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids.	Bioorganic & medicinal chemistry 20100101
Quantitative analysis of anticancer 3-deoxyanthocyanidins in infected sorghum seedlings.	Journal of agricultural and food chemistry 20070124
Collagen and muscle stain obtained from Sorghum bicolor.	Scandinavian journal of clinical and laboratory investigation 20060101
Evaluation of the effect of germination on phenolic compounds and antioxidant activities in sorghum varieties.	Journal of agricultural and food chemistry 20050406
Synergistic effect of deoxyanthocyanins from symbiotic fern Azolla spp. on hrmA gene induction in the cyanobacterium Nostoc punctiforme.	Molecular plant-microbe interactions : MPMI 20020901
Antioxidant capacity of a 3-deoxyanthocyanidin from soybean.	Phytochemistry 20011201