Chilenine; (±)-form, Deoxy
AlkaPlorer ID: AK292221
Synonym: 13-Deoxychilenine
IUPAC Name: 7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaene-2,10-dione
Structure
SMILES: COC1=CC=C2C(=C1OC)C(=O)N1CCC3=CC4=C(C=C3C(=O)C21)OCO4
InChI: InChI=1S/C20H17NO6/c1-24-13-4-3-11-16(19(13)25-2)20(23)21-6-5-10-7-14-15(27-9-26-14)8-12(10)18(22)17(11)21/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKey: FVLOWUBINWKJGC-UHFFFAOYSA-N
Reference
The isoindolobenzazepine alkaloids
PubChem CID: 11667760
LOTUS: LTS0148324
COCONUT: CNP0140841.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis actinacantha | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.3570000000001
TPSA？: 74.30000000000001
MolLogP？: 2.3684000000000003
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|