19(E)-9,18-Didemethoxygardneramine
AlkaPlorer ID: AK012094
Synonym: None
IUPAC Name: (1R,12S,13S,16E,17R,19S)-16-ethylidene-4,6-dimethoxy-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(C=C(OC)C=C5OC)[C@@]43C[C@@H]12
InChI: InChI=1S/C21H24N2O3/c1-4-11-9-23-16-8-21-15-5-12(24-2)6-17(25-3)19(15)22-20(21)26-10-14(16)13(11)7-18(21)23/h4-6,13-14,16,18H,7-10H2,1-3H3/b11-4-/t13-,14-,16-,18-,21+/m0/s1
InChIKey: HBPGSKLHBXLGBP-RMPARDTOSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Gardneria ovata</i>
PubChem CID: 54584049
LOTUS: LTS0271170
NPASS: NPC98197
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gardneria ovata | Gardneria | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.4340000000001
TPSA？: 43.290000000000006
MolLogP？: 3.0543000000000013
Number of H-Donors: 0
Number of H-Acceptors: 5
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 |