Basic information
- CAS
131984-76-4- Standard SMILES
CN1Cc2c3c(cc(O)c2-c2ccc4cc5c(cc4c21)OCO5)OCO3- InChIKey
UYMYPMGPARAZNU-UHFFFAOYSA-N- Molecular formula
- C20H15NO5
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 349.09502258
Overview
10-hydroxydihydrosanguinarine is a benzophenanthridine alkaloid comprising dihydrosanguinarine carrying a hydroxy substituent at the 10-position. It derives from a hydride of a sanguinarine.
Names & identifiers
- Preferred name
- 10-Hydroxydihydrosanguinarine
- IUPAC
- 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-15-ol
Names & synonyms
10-HydroxydihydrosanguinarineCHEBI:1587813-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-5-ol13-methyl-13,14-dihydro-2H,10H-(1,3)dioxolo(4,5-i)(1,3)dioxolo(4',5':4,5)benzo(1,2-c)phenanthridin-5-olRefChem:105723024-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-15-olC05247131984-76-4SCHEMBL20291487DTXSID701128610Q2709827713,14-Dihydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-5-ol
Show more names
13-Methyl-13,14-dihydro-2H,10H-[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-5-ol
Database identifiers
- CAS
131984-76-4- PubChem CID
- 440596
- DTXSID
DTXSID701128610
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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