Atalantoflavone

CAT: 0926-UEA30902-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-UEA30902-03Size:50 mg

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CAS Number

119309-02-3

MDL Number

MFCD23103562

Smiles

CC1 (C=CC2=C (O1) C=C (C3=C2OC (=CC3=O) C4=CC=C (C=C4) O) O) C

Molecular Formula

C20H16O5

Molecular Weight

336.3 g/mol

Controlled

Chemical Information

Atalantoflavone

Atalantoflavone is an extended flavonoid.

CAS Number	119309-02-3
PubChem CID	14162621
IUPAC Name	5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Molecular Formula	C20H16O5
Molecular Weight	336.3
XLogP	3
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	25
Formal Charge	0
Complexity	599

SMILES

CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C

InChI

InChI=1S/C20H16O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3

InChIKey

YEUHAZULDUVZLA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119309-02-3

CID: 14162621

Formula: C20H16O5

MW: 336.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.3
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	336.09977361
Monoisotopic Mass	336.09977361
Topological Polar Surface Area	76 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	599
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
379638	Atalantoflavone