Aspidofractinine; 12-Hydroxy, N-Ac
AlkaPlorer ID: AK289536
Synonym: Aspidofiline
IUPAC Name: 1-(4-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-trien-2-yl)ethanone
Structure
SMILES: CC(=O)N1C2=C(O)C=CC=C2C23CCN4CCCC5(CCC12CC5)C43
InChI: InChI=1S/C21H26N2O2/c1-14(24)23-17-15(4-2-5-16(17)25)21-11-13-22-12-3-6-19(18(21)22)7-9-20(21,23)10-8-19/h2,4-5,18,25H,3,6-13H2,1H3
InChIKey: OPMCYTBHMYQBKH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma pyrifolium | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.45100000000014
TPSA？: 43.78000000000001
MolLogP？: 3.1774000000000013
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|