(+)-Jafrine
AlkaPlorer ID: AK193796
Synonym: ''
IUPAC Name: 1-[(1R)-2-acetyl-7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl]hexan-1-one
Structure
SMILES: CCCCCC(=O)C1=CC2=C(C=C1OC)NC1=C2CCN(C(C)=O)[C@@H]1C
InChI: InChI=1S/C21H28N2O3/c1-5-6-7-8-19(25)17-11-16-15-9-10-23(14(3)24)13(2)21(15)22-18(16)12-20(17)26-4/h11-13,22H,5-10H2,1-4H3/t13-/m1/s1
InChIKey: DHHZYPMWKCANEU-CYBMUJFWSA-N
Reference
Jafrine, a novel and labile β-carboline alkaloid from the flowers of Tagetes patula
PubChem CID: 163033489
LOTUS: LTS0131993
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tagetes erecta | Tagetes | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 356.4660000000001
TPSA？: 62.400000000000006
MolLogP？: 4.405100000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|