Cassaidine; 7-Ketone, 3-O-(3-hydroxy-3-methylbutanoyl)
AlkaPlorer ID: AK291793
Synonym: Coumingine, β-Hydroxyisovalerylcassaine
IUPAC Name: None
Structure
SMILES: CC1/C(=C\C(=O)OCCN(C)C)CCC2C1C(=O)CC1C(C)(C)C(OC(=O)CC(C)(C)O)CCC21C
InChI: InChI=1S/C29H47NO6/c1-18-19(15-24(32)35-14-13-30(7)8)9-10-20-26(18)21(31)16-22-28(4,5)23(11-12-29(20,22)6)36-25(33)17-27(2,3)34/h15,18,20,22-23,26,34H,9-14,16-17H2,1-8H3/b19-15-
InChIKey: LSUIBLFFCBWTAR-CYVLTUHYSA-N
Reference
CAS: 26241-81-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrophleum couminga | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 505.6960000000004
TPSA？: 93.14
MolLogP？: 4.168000000000004
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|