Cassaidine; 7-Ketone, N-de-Me, 3-O-(3-methyl-2-butenoyl)
AlkaPlorer ID: AK291792
Synonym: Ivorine
IUPAC Name: [(7Z)-1,1,4a,8-tetramethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-methylbut-2-enoate
Structure
SMILES: CNCCOC(=O)/C=C1/CCC2C(C(=O)CC3C(C)(C)C(OC(=O)C=C(C)C)CCC23C)C1C
InChI: InChI=1S/C28H43NO5/c1-17(2)14-25(32)34-23-10-11-28(6)20-9-8-19(15-24(31)33-13-12-29-7)18(3)26(20)21(30)16-22(28)27(23,4)5/h14-15,18,20,22-23,26,29H,8-13,16H2,1-7H3/b19-15-
InChIKey: KQPMUAVPQFOWOM-CYVLTUHYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrophleum ivorense | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 473.6540000000003
TPSA？: 81.69999999999999
MolLogP？: 4.631000000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|