Cassaine
AlkaPlorer ID: AK030289
Synonym: '', 'Cassaine'
IUPAC Name: None
Structure
SMILES: C[C@H]1/C(=C/C(=O)OCC[NH+](C)C)CC[C@H]2[C@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C
InChI: InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/p+1/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1
InChIKey: GMHWATCMBXIANN-IOJUAHGHSA-O
Reference
Über ein neues kristallisiertes Alkaloid ausErythrophleum Couminga Baillon
LOTUS: LTS0016682
SuperNatural Ⅲ: SN0109520-05
NPASS: NPC122323
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrophleum suaveolens | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Erythrophleum ivorense | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Erythrophleum guineense | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 406.5870000000002
TPSA？: 68.04
MolLogP？: 2.039
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|