Unonopsine
Basic information
- CAS
112523-82-7- Standard SMILES
c1ccc2c(c1)c(-c1c3c4c(cc5c(c4c4ccccc14)OCO5)CCN3)c1c3c(cc4c(c32)OCO4)CCN1- InChIKey
RCWGMLIRZPOOHR-UHFFFAOYSA-N- Molecular formula
- C34H24N2O4
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.17360725
Overview
Unonopsine has been reported in Unonopsis guatterioides, Unonopsis spectabilis, and other organisms with data available.
Names & identifiers
- Preferred name
- Unonopsine
- IUPAC
- 13-(3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaen-13-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene
Names & synonyms
Unonopsine112523-82-7DTXSID8015009713-(3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,12,14,16,18-heptaen-13-yl)-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,12,14,16,18-heptaene13-(3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaen-13-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaeneRefChem:193144DTXCID80725886,6',7,7'-Tetrahydro-2H,2'H,5H,5'H-8,8'-bi[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline
Database identifiers
- CAS
112523-82-7- PubChem CID
- 183531
- DTXSID
DTXSID80150097- Nikkaji
- J690.481E
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 904
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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