CAS 38216-54-5 Aureusidin (HCID 5281220)

Substructure search Find similar structures

Basic information

CAS: 38216-54-5
Standard SMILES: O=C1/C(=C/c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21
InChIKey: WBEFUVAYFSOUEA-PQMHYQBVSA-N
Molecular formula: C15H10O6
Average molar mass: 286.24 g/mol
Monoisotopic mass: 286.04773803

Names & identifiers

Preferred name: Aureusidin
IUPAC: (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
English name: AUREUSIDIN(RG)
Molecular formula: C15H10O6
Molecular weight: 286.24

Names & synonyms

Aureusidin38216-54-5(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-oneU8B4XHN2DXCHEBI:18149DTXSID201028835(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3(2H)-one(2Z)-2-((3,4-dihydroxyphenyl)methylidene)-4,6-dihydroxy-1-benzofuran-3(2H)-one(2Z)-2-((3,4-dihydroxyphenyl)methylidene)-4,6-dihydroxy-1-benzofuran-3-oneRefChem:115639DTXCID101514465AUREUSIDIN(RG)

Show more names

Aureusidin, 10 mM in DMSO2-[(Z)-(3,4-Dihydroxyphenyl)methylene]-4,6-dihydroxy-3(2H)-benzofuranone(2Z)-2-[(3,4-dihydroxyphenyl)Methylene]-4,6-dihydroxy-3(2H)-benzofuranone3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-, (2Z)-anti-inflammatory effects,LOX,Lipoxygenase,antioxidant,inhibit,Aureusidin,Reactive Oxygen Species,Inhibitor

4,6,3',4'-TetrahydroxyauroneCernuin480-70-6(Z)-2-(3,4-dihydroxybenzylidene)-4,6-dihydroxybenzofuran-3(2H)-one(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-2,3-dihydro-1-benzofuran-3-one(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-oneAuresudidinWBEFUVAYFSOUEA-PQMHYQBVSA-N

Database identifiers

CAS: 38216-54-5
PubChem CID: 5281220
DTXSID: DTXSID201028835
ChEMBL: CHEMBL593229
ChEBI: CHEBI:18149
UNII: U8B4XHN2DX
Nikkaji: J37.389C

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 107 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 447

Physicochemical properties

solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: Very Dark Red to Black
InChI: InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-
InChIKey: WBEFUVAYFSOUEA-PQMHYQBVSA-N
SMILES: O1C2=CC(O)=CC(O)=C2C(=O)/C/1=C/C1=CC=C(O)C(O)=C1
CAS DataBase Reference: 38216 · 38216-54-5
FDA UNII: 8 B4XHN2DX · U8B4XHN2DX

Chemistry & industry

Applications

UsesAureusidin synthase, which plays a key role in the yellow coloration of snapdragon flowers, is a homolog of plant polyphenol oxidase (PPO).

Suppliers31 total

云南西力生物技术股份有限公司0871-65217109 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Aladdin Scientific[email protected]

Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

1 records

New reaction record

HRID 2354308As productuspto-grants-2010_07

Compound notes

Loading…