methyl 18-hydroxy-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8-tetraene-19-carboxylate
AlkaPlorer ID: AK383671
Synonym: None
IUPAC Name: methyl (1S,15R,16S,18R,19R,20S)-18-hydroxy-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate
Structure
SMILES: COC(=O)[C@@H]1[C@H]2C[C@H]3C4=C(CCN3C[C@@H]2[C@H](C)O[C@H]1O)C1=CC(OC)=CC=C1N4
InChI: InChI=1S/C22H28N2O5/c1-11-16-10-24-7-6-13-14-8-12(27-2)4-5-17(14)23-20(13)18(24)9-15(16)19(21(25)28-3)22(26)29-11/h4-5,8,11,15-16,18-19,22-23,26H,6-7,9-10H2,1-3H3/t11-,15-,16+,18-,19-,22+/m0/s1
InChIKey: FXRNMKCIMCLQAT-UHDOGEOTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia caffra | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 400.4750000000001
TPSA？: 84.02000000000001
MolLogP？: 2.2381
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|