Isorabaichromone

CAT: 0013-GTR19230110-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19230110-02Size:50 mg

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Description

Isorabaichromone is a bioactive small molecule with significant antioxidant capacity, effectively scavenging DPPH radicals and superoxide anions. Its properties make it a valuable tool for investigating oxidative stress mechanisms in both cellular (in vitro) and animal (in vivo) models of related diseases.

CAS Number

194669-79-9

Field of Research

Immunology & Inflammation, Metabolism Research, Signal Transduction

Smiles

O (C) C=1C (=C2C (=C (C) C1) C (=O) C=C (C[C@H] (C) O) O2) [C@H]3[C@H] (OC (/C=C/C4=CC (O) =C (O) C=C4) =O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O3

Molecular Formula

C29H32O12

Molecular Weight

572.56

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Isorabaichromone

Isorabaichromone has been reported in Aloe vera with data available.

CAS Number	194669-79-9
PubChem CID	10370832
IUPAC Name	[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Formula	C29H32O12
Molecular Weight	572.6
XLogP	1.4
Topological Polar Surface Area	192
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Heavy Atom Count	41
Formal Charge	0
Complexity	983

SMILES

CC1=CC(=C(C2=C1C(=O)C=C(O2)C[C@H](C)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)OC

InChI

InChI=1S/C29H32O12/c1-13-8-20(38-3)24(27-23(13)19(34)11-16(39-27)9-14(2)31)28-29(26(37)25(36)21(12-30)40-28)41-22(35)7-5-15-4-6-17(32)18(33)10-15/h4-8,10-11,14,21,25-26,28-33,36-37H,9,12H2,1-3H3/b7-5+/t14-,21+,25+,26-,28-,29+/m0/s1

InChIKey

DWFAOPWLORYRCM-VLFSRZOJSA-N

Chemical Structure

2D Structure

CAS: 194669-79-9

CID: 10370832

Formula: C29H32O12

MW: 572.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	572.6
XLogP3	1.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Exact Mass	572.18937645
Monoisotopic Mass	572.18937645
Topological Polar Surface Area	192 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	983
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T79946-01	Isorabaichromone

Isorabaichromone

Chemical Information

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