15-ethyl-13-(hydroxymethyl)-17-methyl-3,17-diazapentacyclo[12.3.1.0²,¹?.0?,?.0¹¹,¹?]octadeca-2(10),4,6,8-tetraen-12-one
AlkaPlorer ID: AK195248
Synonym: None
IUPAC Name: 15-ethyl-13-(hydroxymethyl)-17-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.011,16]octadeca-2(10),4,6,8-tetraen-12-one
Structure
SMILES: CCC1C2CC3C4=C(C5=CC=CC=C5N4)C(C(=O)C2CO)C1N3C
InChI: InChI=1S/C20H24N2O2/c1-3-10-12-8-15-18-16(11-6-4-5-7-14(11)21-18)17(19(10)22(15)2)20(24)13(12)9-23/h4-7,10,12-13,15,17,19,21,23H,3,8-9H2,1-2H3
InChIKey: PNANPKVILYKGDK-UHFFFAOYSA-N
Reference
The complete assignment of the 13C and 1H NMR spectra of jadiffine
PubChem CID: 14217646
LOTUS: LTS0024931
COCONUT: CNP0263394
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vinca difformis | Vinca | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 324.4240000000001
TPSA？: 56.330000000000005
MolLogP？: 2.8439000000000005
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|