Pinocembrin chalcone

CAT: 0127-BUP21324-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP21324-01Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

4197-97-1

Synonyms

2',4',6'-Trihydroxychalcone | Pinocembrinchalcone

MDL Number

MFCD00597209

Purity

=95%

Smiles

Oc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1

Chemical Information

Pinocembrin chalcone

Pinocembrin chalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2', 4' and 6' respectively. It has a role as an antifungal agent and a plant metabolite. It is functionally related to a trans-chalcone.

CAS Number	4197-97-1
PubChem CID	6474295
IUPAC Name	(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Molecular Formula	C15H12O4
Molecular Weight	256.25
XLogP	3.2
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	321

SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2O)O)O

InChI

InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+

InChIKey

LOYXTWZXLWHMBX-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 4197-97-1

CID: 6474295

Formula: C15H12O4

MW: 256.25

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	256.25
XLogP3	3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	256.07355886
Monoisotopic Mass	256.07355886
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
BUP10445-01	Pinocembrin
BUP03053-01	(+/-) -Pinocembrin
BUP17346-01	Chalcone
OR59877	Chalcone
BUP02082-01	Naringenin chalcone
BUP20996-01	Homoeriodictyol chalcone
OR27782-01	Trans-Chalcone
BUP03072-01	Pinostrobin chalcone
BUP23965-01	Eriodictyol chalcone
BUP19712	Trans-Chalcone

Alternative Products

Catalog	Name
TN2078-01	Pinocembrin chalcone
TN10731-01	(E) -Pinocembrin chalcone
T2992-01	Pinocembrin
MBS5760791	(+/-)-Pinocembrin
MBS5815037	(-)-Pinocembrin
M31301-01	(+/-) -Pinocembrin
XP162085	(+) -Pinocembrin
T72742-01	(-) -Pinocembrin

Pinocembrin chalcone

Chemical Information

Related Products

Alternative Products

Popular Products