21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.0²,¹?.0?,¹².0?,¹?.0¹?,²?]henicosa-4(12),5,7,9-tetraen-17-ol
AlkaPlorer ID: AK450029
Synonym: None
IUPAC Name: (2S,13S,15R,20S,21S)-21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-17-ol
Structure
SMILES: C[C@H]1[C@H]2COC(O)C3[C@@H]2C[C@H]2C4=C(C[C@@H]3N21)C1=CC=CC=C1N4
InChI: InChI=1S/C19H22N2O2/c1-9-13-8-23-19(22)17-11(13)6-16-18-12(7-15(17)21(9)16)10-4-2-3-5-14(10)20-18/h2-5,9,11,13,15-17,19-20,22H,6-8H2,1H3/t9-,11+,13+,15-,16-,17?,19?/m0/s1
InChIKey: LVOPRJWLXUCHRL-RDKYAOAVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia sumatrana | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 310.397
TPSA？: 48.49
MolLogP？: 2.4387
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|