Gardnutine
AlkaPlorer ID: AK570093
Synonym: None
IUPAC Name: (2S,4R,5Z,8R,9S,12R)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
Structure
SMILES: C/C=C1\CN2[C@@H]3[C@H]4CO[C@@H]3C3=C(NC5=C3C=CC(OC)=C5)[C@@H]2C[C@@H]14
InChI: InChI=1S/C20H22N2O2/c1-3-10-8-22-16-7-13(10)14-9-24-20(19(14)22)17-12-5-4-11(23-2)6-15(12)21-18(16)17/h3-6,13-14,16,19-21H,7-9H2,1-2H3/b10-3+/t13-,14-,16-,19+,20+/m0/s1
InChIKey: XJTWLFBHBFSVRS-XEFIVEATSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gardneria nutans | Gardneria | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 322.4080000000001
TPSA？: 37.49
MolLogP？: 3.5691000000000024
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|