(+)-Virosecurinine
Basic information
- CAS
6704-68-3- Standard SMILES
O=C1C=C2C=C[C@H]3C[C@]2(O1)[C@@H]1CCCCN13- InChIKey
SWZMSZQQJRKFBP-GMXVVIOVSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Overview
Virosecurinin has been reported in Flueggea virosa with data available.
Names & identifiers
- Preferred name
- (+)-Virosecurinine
- IUPAC
- (1R,2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Names & synonyms
Virosecurinine6704-68-3(+)-Virosecurinineviro-securinineD05X6H4208DTXSID901316136NSC-107414Securinan-11-one, (2alpha,7beta,9beta)-RefChem:194483DTXCID80174600114-oxa-7-azatetracyclo(6.6.1.01,11.02,7)pentadeca-9,11-dien-13-oneVirosecurinin
Show more names
(1R,2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-oneNSC 107414SR-010007214642-alpha,7-alpha-Securinine(6R,11AS,11BR)-9,10,11,11A-TETRAHYDRO-8H-6,11B-METHANOFURO(2,3-C)PYRIDO(1,2-A)AZEPIN-2(6H)-ONE(6R,11aS,11bR)-9,10,11,11a-Tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-oneD-SECURININE(2-alpha,7-beta,9-beta)-Securinan-11-one
Database identifiers
- CAS
6704-68-3- PubChem CID
- 928095
- DTXSID
DTXSID901316136- ChEMBL
CHEMBL1495075- UNII
- D05X6H4208
- Nikkaji
- J16.311B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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