1-[(1R,9R,12S,19S)-6-hydroxy-12-(2-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5-trien-8-yl]ethanone
AlkaPlorer ID: AK393361
Synonym: None
IUPAC Name: 1-[6-hydroxy-12-(2-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: CC(=O)N1C2=C(O)C=CC=C2C23CCN4CCCC(CCO)(CCC12)C43
InChI: InChI=1S/C21H28N2O3/c1-14(25)23-17-6-8-20(10-13-24)7-3-11-22-12-9-21(17,19(20)22)15-4-2-5-16(26)18(15)23/h2,4-5,17,19,24,26H,3,6-13H2,1H3
InChIKey: GUUBDRGMQKDEAV-UHFFFAOYSA-N
Reference
Aspidosperma de Guyane: Alcaloïdes de Aspidosperma marcgravianum
PubChem CID: 162956248
CAS: 2636-98-8
LOTUS: LTS0040145
COCONUT: CNP0227178.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma excelsum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 356.4660000000001
TPSA？: 64.01
MolLogP？: 2.3958000000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|