CAS 3371-27-5 | (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol | CAS Number 3371-27-5

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3371-27-5 | (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol

CAS No: 3371-27-5 Catalog No: AG0032CD MDL No:MFCD01632616

Product Description

Catalog Number:

AG0032CD

Chemical Name:

(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol

CAS Number:

3371-27-5

Molecular Formula:

C15H14O7

Molecular Weight:

306.2675

MDL Number:

MFCD01632616

IUPAC Name:

(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

InChI:

InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1

InChI Key:

XMOCLSLCDHWDHP-DOMZBBRYSA-N

SMILES:

Oc1cc2O[C@@H](c3cc(O)c(c(c3)O)O)[C@@H](Cc2c(c1)O)O

Properties

Complexity:

380

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.27g/mol

Monoisotopic Mass:

306.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

131A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Functional characterization of proanthocyanidin pathway enzymes from tea and their application for metabolic engineering.	Plant physiology 20130301
An efficient and economical MTT assay for determining the antioxidant activity of plant natural product extracts and pure compounds.	Journal of natural products 20100723
Catechin gallates are NADP+-competitive inhibitors of glucose-6-phosphate dehydrogenase and other enzymes that employ NADP+ as a coenzyme.	Bioorganic & medicinal chemistry 20080401
Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids.	Journal of medicinal chemistry 20060601