Fumarofine
AlkaPlorer ID: AK045348
Synonym: ''
IUPAC Name: (1R,12S)-12,15-dihydroxy-16-methoxy-21-methyl-6,8-dioxa-21-azapentacyclo[10.9.0.02,10.05,9.013,18]henicosa-2(10),3,5(9),13,15,17-hexaen-11-one
Structure
SMILES: COC1=CC2=C(C=C1O)[C@@]1(O)C(=O)C3=C4OCOC4=CC=C3[C@H]1N(C)CC2
InChI: InChI=1S/C20H19NO6/c1-21-6-5-10-7-15(25-2)13(22)8-12(10)20(24)18(21)11-3-4-14-17(27-9-26-14)16(11)19(20)23/h3-4,7-8,18,22,24H,5-6,9H2,1-2H3/t18-,20+/m1/s1
InChIKey: BJGPRDJBNLOGMI-QUCCMNQESA-N
Reference
Alkaloids of fumaria officinalis
PubChem CID: 162930739
LOTUS: LTS0036093
SuperNatural Ⅲ: SN0027089-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fumaria officinalis | Fumaria | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.3730000000001
TPSA？: 88.46
MolLogP？: 1.7426
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|