Nobilisine
Basic information
- CAS
115587-27-4- Standard SMILES
CN1CC[C@H]2C[C@H](O)[C@@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5- InChIKey
ATGABXDKTMWXAQ-QACGSVHNSA-N- Molecular formula
- C17H19NO5
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.12632271
Overview
Nobilisine has been reported in Clivia nobilis with data available.
Names & identifiers
- Preferred name
- Nobilisine
- IUPAC
- (2S,3R,7S,9S,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-12-one
Names & synonyms
Nobilisine115587-27-45alpha-Hydroxy-3alpha-5a-epi-masan-7-oneSCHEMBL29504612DTXSID00921761(3aS,5S,5aR,12bS,12cR)-5-Hydroxy-1-methyl-2,3,3a,4,5,5a,12b,12c-octahydro-10H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one5-Hydroxy-1-methyl-2,3,3a,4,5,5a,12b,12c-octahydro-10H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-oneLycorenan-7-one, 4,12-dihydro-5-hydroxy-1-methyl-9,10-(methylenebis(oxy))-, (5alpha,12alpha,13beta)-
Database identifiers
- CAS
115587-27-4- PubChem CID
- 189307
- DTXSID
DTXSID00921761
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 513
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Related reactions
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Compound notes
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