Basic information
- CAS
518-83-2- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)cc(O)cc21- InChIKey
WPWWKBNOXTZDQJ-UHFFFAOYSA-N- Molecular formula
- C14H8O4
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.04225873
Overview
Xanthopurpurin is a dihydroxyanthraquinone. It has a role as a metabolite.
Names & identifiers
- Preferred name
- 1,3-Dihydroxyanthraquinone
- IUPAC
- 1,3-dihydroxyanthracene-9,10-dione
- English name
- 1,3-DIHYDROXYANTHRAQUINONE
- Molecular formula
- C14H8O4
- Molecular weight
- 240.21
Names & synonyms
Xanthopurpurin518-83-21,3-DihydroxyanthraquinonePurpuroPurpuroxanthin1,3-dihydroxyanthracene-9,10-dioneXanthopurpinPurpuroxathinPurpuroxathine1,3-Dihydroxy-9,10-anthracenedionePURPUROXANTHINE1,3-dihydroxy-9,10-anthraquinone
Show more names
anthropomorphous2,4-Dihydroxy-9,10-anthracenedione9,10-Anthracenedione, 1,3-dihydroxy-Xanthopurpurin,Inhibitor,inhibit,Purpuroxanthin
9RBB2G1GQBXANTHOPURPURINECCRIS 3523Anthraquinone, 1,3-dihydroxy-UNII-9RBB2G1GQBBRN 1979394C.I. 753404-08-00-03259 (Beilstein Handbook Reference)
Database identifiers
- CAS
518-83-2- PubChem CID
- 196978
- DTXSID
DTXSID6075431- ChEMBL
CHEMBL372711- ChEBI
CHEBI:37502- UNII
- 9RBB2G1GQB
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point268 - 270 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 266 · 266-268℃
- form
- Solid
- color
- White to yellow
- InChI
- InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
- InChIKey
- WPWWKBNOXTZDQJ-UHFFFAOYSA-N
- SMILES
- C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC(O)=C1
- FDA UNII
- 9 RBB2G1GQB · 9RBB2G1GQB
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,3-dihydroxy- (518-83-2)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesXanthopurpurin, an anthraquinone glycoside, isolated from the roots of Rubia akane, shows mainly strong inhibition of collagen-induced platelet aggregation[1].
Suppliers60 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉灵灵九生物科技有限公司15623309010 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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