methyl 17-(1-hydroxyethyl)-7-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.0²,¹?.0?,?.0¹³,¹?]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
AlkaPlorer ID: AK319167
Synonym: None
IUPAC Name: methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCC1=C2NC2=CC=C(OC)C=C12)C3=O
InChI: InChI=1S/C22H26N2O5/c1-11(25)15-8-12-10-22(21(27)29-3)18-14(6-7-24(19(15)22)20(12)26)16-9-13(28-2)4-5-17(16)23-18/h4-5,9,11-12,15,19,23,25H,6-8,10H2,1-3H3/t11-,12+,15+,19-,22+/m0/s1
InChIKey: OZUSKNIPJRUWKJ-SUYWGXQOSA-N
Reference
Studies on Natural Products from Cuban Plants. Alkaloids from <i>Tabernaemontana citrifolia</i>
PubChem CID: 163189231
LOTUS: LTS0275782
NPASS: NPC216762
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holacantha emoryi | Holacantha | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dorstenia zenkeri | Dorstenia | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.4590000000001
TPSA？: 91.86
MolLogP？: 1.7611999999999997
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|