methyl (1S,10S,15R,17S,18S)-17-ethyl-10-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2,4(9),5,7-tetraene-1-carboxylate
AlkaPlorer ID: AK337660
Synonym: None
IUPAC Name: methyl 17-ethyl-10-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: CCC1CC2CN3CCC4(O)C(=NC5=CC=C(OC)C=C54)C(C(=O)OC)(C2)C13
InChI: InChI=1S/C22H28N2O4/c1-4-14-9-13-11-21(20(25)28-3)18(14)24(12-13)8-7-22(26)16-10-15(27-2)5-6-17(16)23-19(21)22/h5-6,10,13-14,18,26H,4,7-9,11-12H2,1-3H3
InChIKey: AVRFPRAAVSCSSZ-UHFFFAOYSA-N
Reference
Studies on Natural Products from Cuban Plants. Alkaloids from <i>Tabernaemontana citrifolia</i>
PubChem CID: 633463
CAS: 3464-63-9
LOTUS: LTS0272378
COCONUT: CNP0405299.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana citrifolia | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4760000000002
TPSA？: 71.36
MolLogP？: 2.652400000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|