19(E)-18-demethoxygardneramine
AlkaPlorer ID: AK049716
Synonym: None
IUPAC Name: (1R,12S,13S,16E,17R,19S)-16-ethylidene-3,4,6-trimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
Structure
SMILES: C/C=C1/CN2[C@H]3C[C@@H]1[C@@H]1COC4=NC5=C(OC)C=C(OC)C(OC)=C5[C@@]43C[C@@H]12
InChI: InChI=1S/C22H26N2O4/c1-5-11-9-24-14-8-22-17(24)6-12(11)13(14)10-28-21(22)23-19-15(25-2)7-16(26-3)20(27-4)18(19)22/h5,7,12-14,17H,6,8-10H2,1-4H3/b11-5-/t12-,13-,14-,17-,22-/m0/s1
InChIKey: OYIKZKUMGCIROX-SVLGZIACSA-N
Reference
Gardneria alkaloids -IX structures of chitosenine and three other minor bases
PubChem CID: 70697924
LOTUS: LTS0260544
SuperNatural Ⅲ: SN0278427-02
NPASS: NPC198859
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gardneria ovata | Gardneria | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.46000000000015
TPSA？: 52.52000000000001
MolLogP？: 3.0629000000000017
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|