UNPD123638
AlkaPlorer ID: AK155337
Synonym: None
IUPAC Name: [(1S,9S,10S,11R,17S)-12-(2-hydroxyethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate
Structure
SMILES: CC(=O)OC[C@H]1[C@H]2C[C@@H]3N(CC[C@@]34C3=CC=CC=C3N[C@@H]14)CC2=CCO
InChI: InChI=1S/C21H26N2O3/c1-13(25)26-12-16-15-10-19-21(7-8-23(19)11-14(15)6-9-24)17-4-2-3-5-18(17)22-20(16)21/h2-6,15-16,19-20,22,24H,7-12H2,1H3/t15-,16-,19-,20-,21+/m0/s1
InChIKey: SVVUWLMWZYERKY-JPKZGUTDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos henningsii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000001
TPSA？: 61.8
MolLogP？: 1.9243
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|