18-hydroxy-8-methoxy-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4(9),5,7-tetraen-19-yl acetate
AlkaPlorer ID: AK011727
Synonym: None
IUPAC Name: [(1R,15S,18R,19S,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-yl] acetate
Structure
SMILES: COC1=CC=CC2=C1C1=C(N2)[C@H]2C[C@H]3[C@H](CC[C@@H](O)[C@H]3OC(C)=O)CN2CC1
InChI: InChI=1S/C22H28N2O4/c1-12(25)28-22-15-10-17-21-14(20-16(23-21)4-3-5-19(20)27-2)8-9-24(17)11-13(15)6-7-18(22)26/h3-5,13,15,17-18,22-23,26H,6-11H2,1-2H3/t13-,15+,17-,18-,22+/m1/s1
InChIKey: MTJHSYDEEYNWIV-PNKZEQOLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Alstonia venenata | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4760000000002
TPSA？: 74.79
MolLogP？: 2.7982000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|