methyl (2R)-2-hydroxy-2-[(1R,9R,12S,19S)-6-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5-trien-12-yl]acetate
AlkaPlorer ID: AK266271
Synonym: None
IUPAC Name: methyl (2R)-2-hydroxy-2-[(1R,9R,12S,19S)-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl]acetate
Structure
SMILES: COC(=O)[C@H](O)[C@@]12CCCN3CC[C@]4(C5=CC=CC(OC)=C5N[C@@H]4CC1)[C@H]32
InChI: InChI=1S/C21H28N2O4/c1-26-14-6-3-5-13-16(14)22-15-7-9-20(17(24)18(25)27-2)8-4-11-23-12-10-21(13,15)19(20)23/h3,5-6,15,17,19,22,24H,4,7-12H2,1-2H3/t15-,17+,19-,20-,21-/m1/s1
InChIKey: OEEYHOBBEQVNDQ-YUCXSWCWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma cylindrocarpon | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 372.46500000000015
TPSA？: 71.03
MolLogP？: 1.9093
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|