Basic information
- CAS
86680-32-2- Standard SMILES
COc1cc(O)c2c(=O)c3cccc(O)c3n(C)c2c1OC- InChIKey
UTEAJHNFBCLZHN-UHFFFAOYSA-N- Molecular formula
- C16H15NO5
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.09502258
Overview
Citrusinine I is a member of acridines. It is functionally related to an acridone.
Names & identifiers
- Preferred name
- 1,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-acridinone
- IUPAC
- 1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-one
- English name
- citrusinine I
- Molecular formula
- C16H15NO5
- Molecular weight
- 301.29
Names & synonyms
Citrusinine I86680-32-29(10H)-Acridinone, 1,5-dihydroxy-3,4-dimethoxy-10-methyl-1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-oneDTXSID102357601,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-Acridinone1,5-DIHYDROXY-3,4-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONERefChem:126609DTXCID40158251Citrusinine-ICHEMBL4517051,5-dihydroxy-3,4-dimethoxy-10-methyl-acridin-9-one
Show more names
orb1680478SCHEMBL30093820CHEBI:184245LDA68032BDBM50336481TN6264AKOS0407633131,5-Dihydroxy-3,4-dimethoxy-10-methylacridone
Database identifiers
- CAS
86680-32-2- PubChem CID
- 5487772
- DTXSID
DTXSID10235760- ChEMBL
CHEMBL451705- ChEBI
CHEBI:184245- Nikkaji
- J727.343F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Experimental & physicochemical properties
Melting Point206 - 207 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 205 · 205-208 °C
- Boiling point
- 567.5 · 567.5±50.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- 7.51 · 7.51±0.20(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesCitrusinine I is a natural product[1].
Suppliers7 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Citrusinine I 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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