3-[(4R,9S,9aR)-9-hydroxy-2-oxo-octahydroquinolizin-4-yl]quinazolin-4-one
AlkaPlorer ID: AK089139
Synonym: None
IUPAC Name: 3-[(4R,9S,9aR)-9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-4-yl]quinazolin-4-one
Structure
SMILES: O=C1C[C@@H]2[C@@H](O)CCCN2[C@H](N2C=NC3=CC=CC=C3C2=O)C1
InChI: InChI=1S/C17H19N3O3/c21-11-8-14-15(22)6-3-7-19(14)16(9-11)20-10-18-13-5-2-1-4-12(13)17(20)23/h1-2,4-5,10,14-16,22H,3,6-9H2/t14-,15+,16-/m1/s1
InChIKey: AYAIVALJKWTZJV-OWCLPIDISA-N
Reference
Hydrachine A, a Novel Alkaloid from the Roots of <i>Hydrangea </i><i>c</i><i>hinensis</i>
PubChem CID: 15519707
LOTUS: LTS0006870
SuperNatural Ⅲ: SN0018424-01
NPASS: NPC102774
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hydrangea chinensis | Hydrangea | Hydrangeaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.35700000000014
TPSA？: 75.43
MolLogP？: 1.0832999999999997
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | NUGC | Activity | None | None | 10.1021/np010091t |
| None | NON-PROTEIN TARGET | Activity | None | None | 10.1021/np010091t |