Basic information
- CAS
602-06-2- Standard SMILES
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O- InChIKey
MQSXZQXHIJMNAF-UHFFFAOYSA-N- Molecular formula
- C30H18O10
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 538.08999677
Overview
Skyrin is a trihydroxyanthraquinone and a biaryl. It is functionally related to an emodin.
Names & identifiers
- Preferred name
- Skyrin
- IUPAC
- 2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
- English name
- Skyrin
- Molecular formula
- C30H18O10
- Molecular weight
- 538.46
Names & synonyms
Skyrin602-06-2RhodophyscinEndothianin2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dioneVLA1F42GXPNSC-3611282,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-1,1'-bianthracene-9,9',10,10'-tetroneDTXSID00208943(1,1'-Bianthracene)-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, (S)-RefChem:931846DTXCID50131434
Show more names
Skirin3',8''-BIAPIGENINI3,II8 BIAPIGENINDIDEMETHYL-GINKGETIN4',4''',5,5'',7,7''-HEXAHYDROXY-3''',8-BIFLAVONE(+)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-1,1'-bianthraquinone2,4,5,2',4',5'-hexahydroxy-7,7'-dimethyl-[1,1']bianthryl-9,10,9',10'-tetraone
2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-1,1'-bisanthraquinone1,1'-Bisemodin(+)-S-Skyrin(S)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraoneNSC361128CHEMBL472851131233-49-3(R)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,010
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Anthracenes and phenanthrenes [PK1304]
Physicochemical properties
- Melting point
- 380 ℃ · >380℃
- Boiling point
- 956.1 · 956.1±65.0 °C(Predicted)
- Density
- 1.698 · 1.698±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO: soluble
- pka
- 5.24 · 5.24±0.20(Predicted)
- form
- A crystalline solid
- color
- Orange to dark red
- biological source
- Penicillium islandicum
- InChI
- 1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3
- InChIKey
- MQSXZQXHIJMNAF-UHFFFAOYSA-N
- SMILES
- Oc1c2c(c(c(c1)O)c4c5c(c(cc4O)O)C(=O)c6c(cc(cc6O)C)C5=O)C(=O)c3c(c(cc(c3)C)O)C2=O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesSkyrin is a non-peptidic anthraquinone, mycotoxin.
Suppliers18 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
桂林艾使普林生物科技有限公司15920419256 · [email protected]
南京奕明医药科技有限公司19850700912; 19850700912 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
西安莱茵生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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