19-(methoxycarbonyl)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8,18-pentaene-12-carboxylic acid
AlkaPlorer ID: AK434528
Synonym: None
IUPAC Name: (1S,12S,15S,16S,20S)-19-methoxycarbonyl-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-carboxylic acid
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3[C@H](C(=O)O)CC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
InChI: InChI=1S/C22H24N2O5/c1-11-15-9-24-18(7-13(15)16(10-29-11)22(27)28-2)20-14(8-19(24)21(25)26)12-5-3-4-6-17(12)23-20/h3-6,10-11,13,15,18-19,23H,7-9H2,1-2H3,(H,25,26)/t11-,13-,15-,18-,19-/m0/s1
InChIKey: KLVJWWMEDXWHEI-UNPMYHOCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adina eurhyncha | Adina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 396.4430000000001
TPSA？: 91.86
MolLogP？: 2.632000000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|