Geissospermidine; N-De-Ac, N-butanoyl
AlkaPlorer ID: AK299095
Synonym: N-Deacetyl-N-butanoylgeissospermidine
IUPAC Name: 1-(6-hydroxy-16-oxa-4,14-diazahexacyclo[12.5.2.03,11.05,10.011,15.015,19]henicosa-5(10),6,8,18-tetraen-4-yl)butan-1-one
Structure
SMILES: CCCC(=O)N1C2=C(C=CC=C2O)C23CCN4CCC(CC12)C1=CCOC143
InChI: InChI=1S/C22H26N2O3/c1-2-4-19(26)24-18-13-14-7-10-23-11-9-21(18,22(23)15(14)8-12-27-22)16-5-3-6-17(25)20(16)24/h3,5-6,8,14,18,25H,2,4,7,9-13H2,1H3
InChIKey: YSJIADOCDVFEDQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Geissospermum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.4610000000002
TPSA？: 53.010000000000005
MolLogP？: 2.927500000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|