UNPD153374
AlkaPlorer ID: AK424441
Synonym: None
IUPAC Name: methyl 2-(13-formyl-8-methyl-12-oxo-11-oxa-8,16-diazapentacyclo[7.4.3.210,13.01,9.02,7]octadeca-2,4,6-trien-17-yl)but-2-enoate
Structure
SMILES: CC=C(C(=O)OC)C1CC2OC(=O)C1(C=O)C13CCNC21N(C)C1=CC=CC=C13
InChI: InChI=1S/C22H24N2O5/c1-4-13(18(26)28-3)15-11-17-22-21(9-10-23-22,20(15,12-25)19(27)29-17)14-7-5-6-8-16(14)24(22)2/h4-8,12,15,17,23H,9-11H2,1-3H3
InChIKey: JOPPVSCETUERIU-UHFFFAOYSA-N
Reference
Alkaloids of Hunteria zeylanica
PubChem CID: 436035
LOTUS: LTS0256213
COCONUT: CNP0364401.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hunteria congolana | Hunteria | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 396.4430000000001
TPSA？: 84.94
MolLogP？: 1.3137000000000003
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|