Basic information
- CAS
568-01-4- Standard SMILES
COc1c2c(c3c(c1OC)c(=O)c1ccccc1n3C)OCO2- InChIKey
PEWWLIQAXYMMAN-UHFFFAOYSA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.09502258
Overview
Melicopine is a member of acridines. It is functionally related to an acridone.
Names & identifiers
- Preferred name
- Melicopine
- IUPAC
- 4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
- English name
- 4,5-dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one
- Molecular formula
- C17H15NO5
- Molecular weight
- 313.3
Names & synonyms
Melicopine4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-oneN1AK9P0BVM4,5-Dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-oneEINECS 209-308-1UNII-N1AK9P0BVMNSC 34758NSC-347584,5-Dimethoxy-11-methyl-1,3-dioxolo(4,5-c)acridin-6(11H)-oneDTXSID502053461,3-Dioxolo[4,5-c]acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-1,3-Dioxolo(4,5-c)acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-
Show more names
4,5-Dimethoxy-methyl-1,3-dioxolo(4,5-c)acridin-6(11H)-one4,5-Dimethoxy-11-Methyl-(1,3)Dioxolo(4,5-C)Acridin-6-OneRefChem:156354DTXCID501278371,3-Dioxolo(4,5-c)acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-(8CI)1,3-Dioxolo(4,5-c)acridin-6(11H)-one, 4,5-dimethoxy-11-methyl-(8CI)(9CI)PEWWLIQAXYMMAN-UHFFFAOYSA-N568-01-4
Database identifiers
- CAS
568-01-4- PubChem CID
- 68433
- DTXSID
DTXSID50205346- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 181 · 181-182℃
- Density
- 1.345 · 1.345±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · -20°C
- form
- A solid
- FDA UNII
- 1 AK9P0BVM · N1AK9P0BVM
Chemistry & industry
Applications
UsesMelicopine is an acridone alkaloid found in Zanthoxylum simullans whose constituents have displayed cytotoxic and antimalarial activity when used in traditional Chinese medicine.
Upstream & downstream products
Downstream products
Suppliers7 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
ChemeGen 中国18818260767 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: Melicopine is a member of acridines. It is functionally related to an acridone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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