Madurensine; 18-Hydroxy
AlkaPlorer ID: AK305000
Synonym: Crotaflorine
IUPAC Name: 11-ethylidene-8,15-dihydroxy-8-(hydroxymethyl)-9-methyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione
Structure
SMILES: CC=C1CC(C)C(O)(CO)C(=O)OCC2=CCN3CC(OC1=O)C(O)C23
InChI: InChI=1S/C18H25NO7/c1-3-11-6-10(2)18(24,9-20)17(23)25-8-12-4-5-19-7-13(26-16(11)22)15(21)14(12)19/h3-4,10,13-15,20-21,24H,5-9H2,1-2H3
InChIKey: XVMAECXOOJBEHF-UHFFFAOYSA-N
Reference
CAS: 112156-54-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria agatiflora | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Crotalaria rosenii | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.3980000000001
TPSA？: 116.53000000000002
MolLogP？: -0.8639999999999985
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|