Cassaidine; 3-O-(3-Hydroxy-3-methylbutanoyl)
AlkaPlorer ID: AK291790
Synonym: Coumidine
IUPAC Name: [(7Z)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-9-hydroxy-1,1,4a,8-tetramethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthren-2-yl] 3-hydroxy-3-methylbutanoate
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/C29H49NO6/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/h15,18,20-23,26,31,34H,9-14,16-17H2,1-8H3/b19-15-
InChIKey: BMDRRFQAFDHCDT-CYVLTUHYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrophleum ivorense | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Erythrophleum guineense | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 507.7120000000005
TPSA？: 96.3
MolLogP？: 3.959800000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|