Fumarophycine
AlkaPlorer ID: AK008095
Synonym: 'O-Acetylfumaritine'
IUPAC Name: [(1S,8'R)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate
Structure
SMILES: COC1=CC2=C(C=C1O)[C@]1(CC3=CC=C4OCOC4=C3[C@H]1OC(C)=O)N(C)CC2
InChI: InChI=1S/C22H23NO6/c1-12(24)29-21-19-14(4-5-17-20(19)28-11-27-17)10-22(21)15-9-16(25)18(26-3)8-13(15)6-7-23(22)2/h4-5,8-9,21,25H,6-7,10-11H2,1-3H3/t21-,22+/m1/s1
InChIKey: VIRGMCFNCOBYML-YADHBBJMSA-N
Reference
Fumaria densiflora DC. Alkaloids
PubChem CID: 101316764
LOTUS: LTS0049278
SuperNatural Ⅲ: SN0391362-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fumaria officinalis | Fumaria | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.4270000000002
TPSA？: 77.46
MolLogP？: 2.6732000000000014
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|