Basic information
- CAS
107259-48-3- Standard SMILES
COc1ccc2c(cc([N+](=O)[O-])c3c(C(=O)O)cc4c(c32)OCO4)c1O- InChIKey
ZRCMNWRTDNPVFL-UHFFFAOYSA-N- Molecular formula
- C17H11NO8
- Average molar mass
- 357.3 g/mol
- Monoisotopic mass
- 357.04846631
Overview
isolated from root of Aristolochia contorta Bunge; structure given in first source
Names & identifiers
- Preferred name
- aristolochic acid E
- IUPAC
- 8-hydroxy-9-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
- English name
- aristolochic acid E
- Molecular formula
- C17H11NO8
- Molecular weight
- 357.27
Names & synonyms
Aristolochic acid E107259-48-37-Methoxy-8-hydroxyaristolochic acid8-hydroxy-9-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acidDTXSID40147983Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-hydroxy-9-methoxy-6-nitro-8-hydroxy-9-methoxy-6-nitronaphtho(2,1-g)(1,3)benzodioxole-5-carboxylic acidRefChem:114051DTXCID7070474Phenanthro[4,3-d]-1,3-dioxole-5-carboxylicacid, 8-hydroxy-9-methoxy-6-nitro-aristolochic acid VIIIa8-hydroxy-9-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
Show more names
8-Hydroxy-9-Methoxy-6-nitrophenanthro[4,3-d]-1,3-dioxole-5-carboxylic AcidPhenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-hydroxy-9-methoxy-6-nitro-
DB-2297058-HYDROXY-9-METHOXY-6-NITRO-2H-PHENANTHRO[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID
Database identifiers
- CAS
107259-48-3- PubChem CID
- 147113
- DTXSID
DTXSID40147983
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 663.7 · 663.7±55.0 °C(Predicted)
- Density
- 1.656 · 1.656±0.06 g/cm3(Predicted)
- pka
- 2.96 · 2.96±0.20(Predicted)
Chemistry & industry
Applications
UsesΑ new natural product was isolated from Aristolochia contorta bunge
Suppliers6 total
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…