Geissoschizine; N4,21-Dehydro
AlkaPlorer ID: AK299078
Synonym: 4,21-Dehydrogeissoschizine
IUPAC Name: methyl 2-(3-ethylidene-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-2-yl)-3-hydroxyprop-2-enoate
Structure
SMILES: CC=C1C=[N+]2CCC3=C(NC4=CC=CC=C34)C2CC1C(=CO)C(=O)OC
InChI: InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1
InChIKey: CUHFIPBCFIPFJM-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Guettarda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.4260000000001
TPSA？: 65.33
MolLogP？: 3.4295000000000018
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|