18-Demethylgardfloramine
AlkaPlorer ID: AK318774
Synonym: None
IUPAC Name: (2Z)-2-[(1R,15S,16S,20R,22S)-3-methoxy-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-19-ylidene]ethanol
Structure
SMILES: COC1=C2OCOC2=CC2=C1[C@@]13C[C@H]4[C@@H](COC1=N2)[C@H]1C[C@@H]3N4C/C1=C\CO
InChI: InChI=1S/C21H22N2O5/c1-25-19-17-13(5-15-18(19)28-9-27-15)22-20-21(17)6-14-12(8-26-20)11-4-16(21)23(14)7-10(11)2-3-24/h2,5,11-12,14,16,24H,3-4,6-9H2,1H3/b10-2+/t11-,12-,14-,16-,21-/m0/s1
InChIKey: UNRLUEYVDLNGBH-PZITXNDWSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Gardneria ovata</i>
PubChem CID: 54583046
LOTUS: LTS0065954
NPASS: NPC168250
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gardneria ovata | Gardneria | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.4160000000001
TPSA？: 72.75
MolLogP？: 1.7468
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 8
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 |