Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8(6H)-one, 3',4'-dihydro-7'-hydroxy-6'-methoxy-2'-methyl-
Basic information
- CAS
56297-73-5- Standard SMILES
COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2- InChIKey
AHNUBWYOIHCGFN-UHFFFAOYSA-N- Molecular formula
- C20H19NO5
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12632271
Overview
Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8(6H)-one, 3',4'-dihydro-7'-hydroxy-6'-methoxy-2'-methyl- has been reported in Fumaria barnolae and Fumaria vaillantii with data available.
Names & identifiers
- Preferred name
- Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8(6H)-one, 3',4'-dihydro-7'-hydroxy-6'-methoxy-2'-methyl-
- IUPAC
- 7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
Names & synonyms
NSC65730956297-73-5Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8(6H)-one, 3',4'-dihydro-7'-hydroxy-6'-methoxy-2'-methyl-Compound NP-014205orb3171834ACon1_001596DTXSID50971736AKOS040738893NSC-657309NCGC00180342-02NCI60_019843T129806
Show more names
BRD-A12847272-001-01-67'-Hydroxy-6'-methoxy-2'-methyl-3',4'-dihydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8(6H)-one7-hydroxy-6-methoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
Database identifiers
- CAS
56297-73-5- PubChem CID
- 376403
- DTXSID
DTXSID50971736
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
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Compound notes
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