Pseudobaptigenin

CAT: 0013-GTR19208831Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19208831Size:1 mg

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Description

Pseudobaptigenin is a natural isoflavone found in plants such as Pterocarpus marsupium. It is utilized in biochemical research, with studies investigating its potential biological activities in both in vitro and in vivo experimental models.

CAS Number

90-29-9

Product Name Alternative

Psi-baptigenin, Pseudobaptigenin

Purity

98.00% (May vary between batches)

Smiles

O=C1C (C=2C=C3C (=CC2) OCO3) =COC=4C1=CC=C (O) C4

Molecular Formula

C16H10O5

Molecular Weight

282.25

Storage Conditions

Store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Notes

For research use only.

Chemical Information

Pseudobaptigenin

Pseudobaptigenin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. It has a role as an antiprotozoal drug and a plant metabolite. It is a member of benzodioxoles and a member of 7-hydroxyisoflavones. It is a conjugate acid of a pseudobaptigenin(1-).

CAS Number	90-29-9
PubChem CID	5281805
IUPAC Name	3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one
Molecular Formula	C16H10O5
Molecular Weight	282.25
XLogP	2.6
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	460

SMILES

C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O

InChI

InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2

InChIKey

KNJNBKINYHZUGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90-29-9

CID: 5281805

Formula: C16H10O5

MW: 282.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	282.25
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	282.05282342
Monoisotopic Mass	282.05282342
Topological Polar Surface Area	65 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	460
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

Alternative Products

Catalog	Name
FP65443-01	Pseudobaptigenin

Pseudobaptigenin

Chemical Information

Alternative Products

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