21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8,15,17,19-heptaene-12-carboxylic acid
AlkaPlorer ID: AK105857
Synonym: None
IUPAC Name: (1S)-21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaene-12-carboxylic acid
Structure
SMILES: CN1C2=CC=CC=C2C(=O)N2C(C(=O)O)CC3=C(NC4=CC=CC=C34)[C@@H]12
InChI: InChI=1S/C20H17N3O3/c1-22-15-9-5-3-7-12(15)19(24)23-16(20(25)26)10-13-11-6-2-4-8-14(11)21-17(13)18(22)23/h2-9,16,18,21H,10H2,1H3,(H,25,26)/t16?,18-/m0/s1
InChIKey: QSOXJKJJXRDDNM-DAFXYXGESA-N
Reference
Determination of the alkaloids in Evodiae Fructus by high-performance liquid chromatography
PubChem CID: 102505742
LOTUS: LTS0076932
NPASS: NPC173627
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tetradium ruticarpum | Tetradium | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 347.374
TPSA？: 76.64000000000001
MolLogP？: 2.7680000000000007
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|