18-hydroxy-19-(methoxycarbonyl)-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8-tetraene-12-carboxylic acid
AlkaPlorer ID: AK377748
Synonym: None
IUPAC Name: (1S,12S,15R,18S,19S,20S)-18-hydroxy-19-methoxycarbonyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-12-carboxylic acid
Structure
SMILES: COC(=O)[C@H]1[C@H]2C[C@H]3C4=C(C[C@@H](C(=O)O)N3C[C@@H]2CC[C@@H]1O)C1=CC=CC=C1N4
InChI: InChI=1S/C22H26N2O5/c1-29-22(28)19-13-8-16-20-14(12-4-2-3-5-15(12)23-20)9-17(21(26)27)24(16)10-11(13)6-7-18(19)25/h2-5,11,13,16-19,23,25H,6-10H2,1H3,(H,26,27)/t11-,13-,16-,17-,18-,19-/m0/s1
InChIKey: FKDCWOOHMIPXRV-AMTPKYOQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adina eurhyncha | Adina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.4590000000001
TPSA？: 102.86
MolLogP？: 2.1003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|