1-[(1R,9R,12S,19S)-12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5-trien-8-yl]ethanone
AlkaPlorer ID: AK354523
Synonym: None
IUPAC Name: 1-[(12R,19R)-12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: CC[C@@]12CCCN3CCC4(C5=CC=C(OC)C(O)=C5N(C(C)=O)C4CC1)[C@H]32
InChI: InChI=1S/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17?,20-,21-,22?/m1/s1
InChIKey: CITPXCNSMZMNIW-YLFWVWAESA-N
Reference
Alcaloides de Geissospermum argenteum (apocynaceae)
PubChem CID: 5320829
LOTUS: LTS0233137
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma excelsum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.49300000000017
TPSA？: 53.010000000000005
MolLogP？: 3.432000000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|