19-(acetyloxy)-18-hydroxy-6-methoxy-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8-tetraen-17-yl 3,4,5-trimethoxybenzoate
AlkaPlorer ID: AK318966
Synonym: None
IUPAC Name: [(1R,15S,17R,18R,19R,20S)-19-acetyloxy-18-hydroxy-6-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-17-yl] 3,4,5-trimethoxybenzoate
Structure
SMILES: COC1=CC=C2C3=C(NC2=C1)[C@H]1C[C@H]2[C@H](C[C@@H](OC(=O)C4=CC(OC)=C(OC)C(OC)=C4)[C@@H](O)[C@@H]2OC(C)=O)CN1CC3
InChI: InChI=1S/C32H38N2O9/c1-16(35)42-30-22-14-24-28-21(20-7-6-19(38-2)13-23(20)33-28)8-9-34(24)15-18(22)12-25(29(30)36)43-32(37)17-10-26(39-3)31(41-5)27(11-17)40-4/h6-7,10-11,13,18,22,24-25,29-30,33,36H,8-9,12,14-15H2,1-5H3/t18-,22+,24-,25-,29-,30-/m1/s1
InChIKey: LWZYHGCPBSKKNE-ZEQDIMPQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rubia cordifolia | Rubia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Rauvolfia yunnanensis | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 594.6610000000001
TPSA？: 128.78000000000003
MolLogP？: 3.659500000000002
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|