Monocrotaline; O13-Ac
AlkaPlorer ID: AK306940
Synonym: Spectabiline, Acetylmonocrotaline
IUPAC Name: (6-hydroxy-4,5,6-trimethyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-en-5-yl) acetate
Structure
SMILES: CC(=O)OC1(C)C(C)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23
InChI: InChI=1S/C18H25NO7/c1-10-15(21)25-13-6-8-19-7-5-12(14(13)19)9-24-16(22)17(3,23)18(10,4)26-11(2)20/h5,10,13-14,23H,6-9H2,1-4H3
InChIKey: ZVBPCOQJPAOXMI-UHFFFAOYSA-N
Reference
New quinolinone alkaloids from the heartwood of, Euxylophora paraensis
PubChem CID: 4311469
LOTUS: LTS0004138
COCONUT: CNP0423701.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria spectabilis | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Crotalaria retusa | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.39800000000014
TPSA？: 102.37000000000002
MolLogP？: 0.1782000000000008
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|