Basic information
- CAS
17948-35-5- Standard SMILES
CN1CCc2cc3c(cc2C2OC(O)c4c(ccc5c4OCO5)C21)OCO3- InChIKey
XUYAYNRYVXHNOQ-UHFFFAOYSA-N- Molecular formula
- C20H19NO6
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.12123733
Overview
Isorheagenine is an alkaloid.
Names & identifiers
- Preferred name
- Isorheagenine
- IUPAC
- 13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-ol
Names & synonyms
IsorheagenineIsorhoeagenineACon1_001400CHEBI:168501NCGC00180546-03!BRD-A42749084-001-01-613-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0^{2,10}.0^{4,8}.0^{15,23}.0^{18,22}]pentacosa-2,4(8),9,15,17,22-hexaen-24-ol13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-ol6-Methyl-5b,6,7,8,13b,15-hexahydro[1,3]dioxolo[4,5-H][1,3]dioxolo[4',5':7,8]isochromeno[3,4-a][3]benzazepin-15-ol #
Database identifiers
- CAS
17948-35-5- PubChem CID
- 609840
- ChEBI
CHEBI:168501
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Experimental & physicochemical properties
Melting Point210 - 215 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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