methyl 18-formyl-12-[(1E)-prop-1-en-1-yl]-8,15-diazapentacyclo[10.5.1.0¹,?.0²,?.0¹?,¹?]octadeca-2,4,6,8-tetraene-18-carboxylate
AlkaPlorer ID: AK253856
Synonym: None
IUPAC Name: methyl (1R,10R,12S,18S)-18-formyl-12-prop-1-enyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
Structure
SMILES: CC=C[C@]12CCN3CC[C@]4(C(=NC5=CC=CC=C54)[C@H]3C1)[C@@]2(C=O)C(=O)OC
InChI: InChI=1S/C22H24N2O3/c1-3-8-20-9-11-24-12-10-21(22(20,14-25)19(26)27-2)15-6-4-5-7-16(15)23-18(21)17(24)13-20/h3-8,14,17H,9-13H2,1-2H3/t17-,20+,21+,22+/m1/s1
InChIKey: UXVGVLNTEMJLBO-MNAPGUCWSA-N
Reference
Biologically Active Indole Alkaloids from <i>Kopsia </i><i>arborea</i>
PubChem CID: 163093839
LOTUS: LTS0210426
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia arborea | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 364.4450000000002
TPSA？: 58.97
MolLogP？: 2.813000000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|