Puntarenine; (±)-form
AlkaPlorer ID: AK181482
Synonym: None
IUPAC Name: 18,19-dimethoxy-6,8-dioxa-14-azapentacyclo[12.8.0.03,11.05,9.017,22]docosa-3,5(9),10,17(22),18,20-hexaene-2,15-dione
Structure
SMILES: COC1=CC=C2C(=C1OC)CC(=O)N1CCC3=CC4=C(C=C3C(=O)C21)OCO4
InChI: InChI=1S/C21H19NO6/c1-25-15-4-3-12-14(21(15)26-2)9-18(23)22-6-5-11-7-16-17(28-10-27-16)8-13(11)20(24)19(12)22/h3-4,7-8,19H,5-6,9-10H2,1-2H3
InChIKey: RIGDPEKYCIWKDD-UHFFFAOYSA-N
Reference
Magallanesine: an isoindolobenzazocine alkaloid
PubChem CID: 100216
CAS: 85769-44-4
LOTUS: LTS0186798
COCONUT: CNP0255661
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis actinacantha | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Berberis empetrifolia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.3840000000001
TPSA？: 74.30000000000001
MolLogP？: 2.297300000000001
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|