Fumaritridine; (±)-form
AlkaPlorer ID: AK298782
Synonym: None
IUPAC Name: 12,16-dimethoxy-21-methyl-4,6-dioxa-21-azapentacyclo[10.9.0.02,10.03,7.013,18]henicosa-2(10),3(7),8,13,15,17-hexaen-15-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C1(OC)CC3=C(C4=C(C=C3)OCO4)C1N(C)CC2
InChI: InChI=1S/C21H23NO5/c1-22-7-6-12-8-17(24-2)15(23)9-14(12)21(25-3)10-13-4-5-16-19(27-11-26-16)18(13)20(21)22/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3
InChIKey: UVACAWVKXUAPRQ-UHFFFAOYSA-N
Reference
Alkaloids From Fumaria macrocarpa
PubChem CID: 75528888
CAS: 37646-04-1
LOTUS: LTS0057270
COCONUT: CNP0298467.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fumaria rostellata | Fumaria | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.41700000000014
TPSA？: 60.39000000000001
MolLogP？: 2.756500000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|