19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)-
AlkaPlorer ID: AK020800
Synonym: None
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,15S,16S,19Z,20R,22S)-19-(2-methoxyethylidene)-5,7,13-trioxa-11,17-diazaheptacyclo[14.6.1.01,12.02,10.04,8.015,20.017,22]tricosa-2,4(8),9,11-tetraen-3-yl]oxy]oxane-3,4,5-triol
Structure
SMILES: COC/C=C1\CN2[C@H]3C[C@@H]1[C@@H]1COC4=NC5=CC6=C(OCO6)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C5[C@@]43C[C@@H]12
InChI: InChI=1S/C27H32N2O10/c1-34-3-2-11-7-29-15-6-27-18(29)4-12(11)13(15)9-35-26(27)28-14-5-16-23(37-10-36-16)24(19(14)27)39-25-22(33)21(32)20(31)17(8-30)38-25/h2,5,12-13,15,17-18,20-22,25,30-33H,3-4,6-10H2,1H3/b11-2+/t12-,13-,15-,17+,18-,20+,21-,22+,25-,27-/m0/s1
InChIKey: ZXOASSJPZSDCOJ-JDVSSZFKSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Gardneria ovata</i>
PubChem CID: 54583045
LOTUS: LTS0203651
NPASS: NPC108826
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gardneria ovata | Gardneria | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 544.5570000000002
TPSA？: 151.9
MolLogP？: -0.4289999999999987
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np2000254 |
| Homo sapiens | HL-60 | IC50 | 40000.0 | nM | 10.1021/np2000254 |
| Homo sapiens | MCF7 | IC50 | 40000.0 | nM | 10.1021/np2000254 |
| Homo sapiens | SMMC-7721 | IC50 | 40000.0 | nM | 10.1021/np2000254 |
| Homo sapiens | SW480 | IC50 | 40000.0 | nM | 10.1021/np2000254 |