11-hydroxyrutaecarpine
AlkaPlorer ID: AK005251
Synonym: None
IUPAC Name: 6-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
Structure
SMILES: O=C1C2=CC=CC=C2N=C2C3=C(CCN21)C1=CC=C(O)C=C1N3
InChI: InChI=1S/C18H13N3O2/c22-10-5-6-11-12-7-8-21-17(16(12)19-15(11)9-10)20-14-4-2-1-3-13(14)18(21)23/h1-6,9,19,22H,7-8H2
InChIKey: LZNDAOKPOOIXKH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 303.321
TPSA？: 70.91
MolLogP？: 2.8065000000000007
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Phosphodiesterase 5A | IC50 | 1360.0 | nM | 10.1016/j.bmcl.2020.127097 |