methyl 17-ethyl-11-hydroxy-14-oxo-3,13-diazapentacyclo[13.3.1.0²,¹?.0?,?.0¹³,¹?]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
AlkaPlorer ID: AK561301
Synonym: None
IUPAC Name: methyl (1S,15R,17S,18S)-17-ethyl-11-hydroxy-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)C4=C(C5=CC=CC=C5N4)C(O)CN(C2=O)[C@@H]13
InChI: InChI=1S/C21H24N2O4/c1-3-11-8-12-9-21(20(26)27-2)17-16(13-6-4-5-7-14(13)22-17)15(24)10-23(18(11)21)19(12)25/h4-7,11-12,15,18,22,24H,3,8-10H2,1-2H3/t11-,12+,15?,18-,21+/m0/s1
InChIKey: WPAFASNFOAYXNJ-KFPATTCQSA-N
Reference
Alkaloids from leaves and stem bark of Ervatamia polyneura
PubChem CID: 102239681
LOTUS: LTS0198481
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana peduncularis | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4330000000001
TPSA？: 82.63
MolLogP？: 2.2727000000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|