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: AK322473
Synonym: None
IUPAC Name: methyl 17-(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)C12CC3CC(C(C)O)C1N(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
InChIKey: OZUSKNIPJRUWKJ-UHFFFAOYSA-N
Reference
New Cytotoxic Indole Alkaloids from <i>Tabernaemontana calcarea</i> from the Madagascar Rainforest.
PubChem CID: 73746337
LOTUS: LTS0244855
COCONUT: CNP0143084.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana calcarea | Tabernaemontana | Apocynaceae | Gentianales | 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 |
|---|