Pancrimatine B; 4-O-[2-Hydroxy-1-(hydroxymethyl)ethyl]
AlkaPlorer ID: AK256800
Synonym: Pancrimatine A
IUPAC Name: 5-(2-aminoethyl)-4-(1,3-dihydroxypropan-2-yloxy)-2-propyl-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Structure
SMILES: CCCC1=CC(OC(CO)CO)=C2C(=C1)C1=CC3=C(C=C1C(=O)N2CCN)OCO3
InChI: InChI=1S/C22H26N2O6/c1-2-3-13-6-16-15-8-18-19(29-12-28-18)9-17(15)22(27)24(5-4-23)21(16)20(7-13)30-14(10-25)11-26/h6-9,14,25-26H,2-5,10-12,23H2,1H3
InChIKey: QOBWAHGNXHPTJC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pancratium maritimum | Pancratium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 414.45800000000025
TPSA？: 116.17
MolLogP？: 1.5265999999999995
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|