18,19-dihydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
AlkaPlorer ID: AK074511
Synonym: None
IUPAC Name: 18,19-dihydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
Structure
SMILES: O=C1C2=CC=C(O)C(O)=C2N=C2C3=C(CCN21)C1=CC=CC=C1N3
InChI: InChI=1S/C18H13N3O3/c22-13-6-5-11-14(16(13)23)20-17-15-10(7-8-21(17)18(11)24)9-3-1-2-4-12(9)19-15/h1-6,19,22-23H,7-8H2
InChIKey: PRSXYIFCRMRNRJ-UHFFFAOYSA-N
Reference
Alkaloids and limonoids from Bouchardatia neurococca: systematic significance
PubChem CID: 23250595
LOTUS: LTS0049575
COCONUT: CNP0288135
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bouchardatia neurococca | Bouchardatia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 319.31999999999994
TPSA？: 91.14
MolLogP？: 2.5121
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|