Thevetiaflavone 5mg

CAT: 0628-A18365-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A18365-5Size:5 mg

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CAS Number

29376-68-9

Chemical Information

Thevetiaflavone

thevetiaflavone has been reported in Thevetia neriifolia, Heliotropium sinuatum, and other organisms with data available.

CAS Number	29376-68-9
PubChem CID	5315202
IUPAC Name	7-hydroxy-2-(4-hydroxyphenyl)-5-methoxychromen-4-one
Molecular Formula	C16H12O5
Molecular Weight	284.26
XLogP	1.5
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	424

SMILES

COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C16H12O5/c1-20-14-6-11(18)7-15-16(14)12(19)8-13(21-15)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

InChIKey

YQABHAHJGSNVQR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29376-68-9

CID: 5315202

Formula: C16H12O5

MW: 284.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.26
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	284.06847348
Monoisotopic Mass	284.06847348
Topological Polar Surface Area	76 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	424
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
MBS5768192	Thevetiaflavone