Basic information
- CAS
81525-61-3- Standard SMILES
COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c12)C=CC(C)(C)O4- InChIKey
DIDVBISMWJGFOF-UHFFFAOYSA-N- Molecular formula
- C20H19NO5
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12632271
Overview
Citracridone I is a member of acridines. It is functionally related to an acridone.
Names & identifiers
- Preferred name
- Citracridone I
- IUPAC
- 6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
- English name
- citracridone-I
- Molecular formula
- C20H19NO5
- Molecular weight
- 353.37
Names & synonyms
citracridone ICitracridone-ICitra-I81525-61-3A6PVJ9XP6K6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-oneDTXSID402311797,11-DIHYDROXY-6-METHOXY-2,2,5-TRIMETHYL-5,10-DIHYDRO-2H-1-OXA-5-AZATETRAPHEN-10-ONE7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano(2,3-c)acridin-7-one7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-RefChem:126511
Show more names
DTXCID90153670UNII-A6PVJ9XP6KCHEMBL451706SCHEMBL27843302CHEBI:1747556,10-dihydroxy-11-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one11-METHOXY-3,3,12-TRIMETHYL-6,10-BIS(OXIDANYL)PYRANO(2,3-C)ACRIDIN-7-ONE6,10-Dihydroxy-11-methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one
Database identifiers
- CAS
81525-61-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 605
Experimental & physicochemical properties
Melting Point275 - 278 °C
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 6 PVJ9XP6K · A6PVJ9XP6K
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Citracridone 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
Loading…