Tectoridin

CAT: 0926-MT08139-03Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-MT08139-03Size:250 mg

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CAS Number

611-40-5

Synonyms

7- (b-D-Glucopyranosyloxy) -5-hydroxy-3- (4-hydroxyphenyl) -6-methoxy-4H-1-benzopyran-4-one; Shekanin

MDL Number

MFCD01662715

Smiles

COC1=C (C=C2C (=C1O) C (=O) C (=CO2) C3=CC=C (C=C3) O) O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) CO) O) O) O

Molecular Formula

C22H22O11

Molecular Weight

462.4 g/mol

Controlled

Chemical Information

Tectoridin

Tectoridin is a glycosyloxyisoflavone that is tectorigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a 7-hydroxyisoflavones 7-O-beta-D-glucoside, a hydroxyisoflavone, a methoxyisoflavone and a monosaccharide derivative. It is functionally related to a tectorigenin.

CAS Number	611-40-5
PubChem CID	5281810
IUPAC Name	5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Formula	C22H22O11
Molecular Weight	462.4
XLogP	0.8
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	721

SMILES

COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1

InChIKey

CNOURESJATUGPN-UDEBZQQRSA-N

Chemical Structure

2D Structure

CAS: 611-40-5

CID: 5281810

Formula: C22H22O11

MW: 462.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	462.4
XLogP3	0.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	462.11621151
Monoisotopic Mass	462.11621151
Topological Polar Surface Area	175 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	721
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
584641	Tectoridin
A12129-100	Tectoridin 100mg

Tectoridin

Chemical Information

Alternative Products

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