Keayanine
AlkaPlorer ID: AK022281
Synonym: 'Keayanine A'
IUPAC Name: N-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]propyl]-N-[4-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]propylamino]butyl]-3-(4-hydroxyphenyl)prop-2-enamide
Structure
SMILES: COC1=CC(C=CC(O)=NCCCNCCCCN(CCCN=C(O)C=CC2=CC=C(O)C(OC)=C2)C(=O)C=CC2=CC=C(O)C=C2)=CC=C1O
InChI: InChI=1S/C39H48N4O8/c1-50-35-27-30(9-16-33(35)45)11-18-37(47)41-23-5-22-40-21-3-4-25-43(39(49)20-13-29-7-14-32(44)15-8-29)26-6-24-42-38(48)19-12-31-10-17-34(46)36(28-31)51-2/h7-20,27-28,40,44-46H,3-6,21-26H2,1-2H3,(H,41,47)(H,42,48)
InChIKey: GHAGJNVSUARKJW-UHFFFAOYSA-N
Reference
Two New Quinoline and Tris(4-hydroxycinnamoyl)spermine Derivatives from Microdesmis keayana Roots
PubChem CID: 73299027
CAS: 942914-01-4
LOTUS: LTS0116896
COCONUT: CNP0314064
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microdesmis keayana | Microdesmis | Pandaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 700.8330000000003
TPSA？: 176.67
MolLogP？: 6.1522000000000086
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|