12,19-dimethyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8,18-pentaene-12,19-dicarboxylate
AlkaPlorer ID: AK390752
Synonym: None
IUPAC Name: dimethyl (1S,12S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-12,19-dicarboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3[C@H](C(=O)OC)CC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
InChI: InChI=1S/C23H26N2O5/c1-12-16-10-25-19(8-14(16)17(11-30-12)22(26)28-2)21-15(9-20(25)23(27)29-3)13-6-4-5-7-18(13)24-21/h4-7,11-12,14,16,19-20,24H,8-10H2,1-3H3/t12-,14-,16-,19-,20-/m0/s1
InChIKey: GOIRIOFZEXZEAF-AEMJQIITSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adina eurhyncha | Adina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 410.4700000000001
TPSA？: 80.86000000000001
MolLogP？: 2.7204000000000006
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|