19(E)-11-Methoxy-9,18-didemethoxygardneramine
AlkaPlorer ID: AK049611
Synonym: None
IUPAC Name: (1R,12S,13S,16E,17R,19S)-16-ethylidene-4,5,6-trimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2,4,6,8-tetraene
Structure
SMILES: C/C=C1/CN2[C@H]3C[C@@H]1[C@@H]1COC4=NC5=C(C=C(OC)C(OC)=C5OC)[C@@]43C[C@@H]12
InChI: InChI=1S/C22H26N2O4/c1-5-11-9-24-15-8-22-14-7-16(25-2)19(26-3)20(27-4)18(14)23-21(22)28-10-13(15)12(11)6-17(22)24/h5,7,12-13,15,17H,6,8-10H2,1-4H3/b11-5-/t12-,13-,15-,17-,22+/m0/s1
InChIKey: KQEBWWUZXARNSU-GQGWNBIDSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Gardneria ovata</i>
PubChem CID: 54582101
LOTUS: LTS0115763
NPASS: NPC272706
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 |
|---|---|---|---|---|---|
| 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 |