9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-tetrahydro-4H-1,3,5,2λ⁵-furo[3,2-d][1,3,2λ⁵]dioxaphosphinin-6-yl]-2-amino-1-methylpurin-6-one
AlkaPlorer ID: AK373894
Synonym: None
IUPAC Name: 2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1-methylpurin-6-one
Structure
SMILES: CN1C(=N)NC2=C(N=CN2C2OC3COP(=O)(O)OC3C2O)C1=O
InChI: InChI=1S/C11H14N5O7P/c1-15-9(18)5-8(14-11(15)12)16(3-13-5)10-6(17)7-4(22-10)2-21-24(19,20)23-7/h3-4,6-7,10,17H,2H2,1H3,(H2,12,14)(H,19,20)
InChIKey: FBEZEINIPFPIME-UHFFFAOYSA-N
Reference
Benzopyranones and Their Sulfate Esters from<i>Pelargonium sidoides</i>
PubChem CID: 75065095
LOTUS: LTS0247029
COCONUT: CNP0421714.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pelargonium sidoides | Pelargonium | Geraniaceae | Geraniales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.235
TPSA？: 164.68
MolLogP？: -1.6833300000000004
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|