Nandigerine; (±)-form
AlkaPlorer ID: AK307333
Synonym: None
IUPAC Name: 18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
Structure
SMILES: COC1=C(O)C=CC2=C1C1=C3OCOC3=CC3=C1C(C2)NCC3
InChI: InChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3
InChIKey: CFUKKPQRQGCLAT-UHFFFAOYSA-N
Reference
Aporphine alkaloids from Parabenzoin praecox (Sieb. et Zucc.) Nakai.
PubChem CID: 422682
CAS: 31520-97-5
LOTUS: LTS0057557
NPASS: NPC83928
COCONUT: CNP0217669.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurus nobilis | Laurus | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Hernandia cordigera | Hernandia | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Hernandia ovigera | Hernandia | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.33700000000005
TPSA？: 59.95
MolLogP？: 2.5394000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|