Schumannificine
AlkaPlorer ID: AK313099
Synonym: Schumannioficine
IUPAC Name: 8,12-dihydroxy-4-methyl-3,11-dioxa-15-azatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2(7),4,8-tetraene-6,14-dione
Structure
SMILES: CC1=CC(=O)C2=C(O)C=C3OC(O)C4C(O)=NCCC4C3=C2O1
InChI: InChI=1S/C16H15NO6/c1-6-4-8(18)13-9(19)5-10-11(14(13)22-6)7-2-3-17-15(20)12(7)16(21)23-10/h4-5,7,12,16,19,21H,2-3H2,1H3,(H,17,20)
InChIKey: FMSDYYNCMGQCLN-UHFFFAOYSA-N
Reference
Novel Structures of two Chromone Alkaloids from Root-Bark of<i>Schumanniophyton magnificum</i>
PubChem CID: 9883434
LOTUS: LTS0145951
COCONUT: CNP0227284.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schumanniophyton magnificum | Schumanniophyton | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 317.2970000000001
TPSA？: 112.49
MolLogP？: 1.5778199999999998
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|