Homoerysotine; 2-Ac
AlkaPlorer ID: AK300586
Synonym: 2-Acetoxyisotaxodine
IUPAC Name: (5-hydroxy-4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-16-yl) acetate
Structure
SMILES: COC1=C(O)C=C2CCCN3CCC4=CC(OC(C)=O)C(OC)CC43C2=C1
InChI: InChI=1S/C21H27NO5/c1-13(23)27-19-10-15-6-8-22-7-4-5-14-9-17(24)18(25-2)11-16(14)21(15,22)12-20(19)26-3/h9-11,19-20,24H,4-8,12H2,1-3H3
InChIKey: FFMDTHAKJBYVEN-UHFFFAOYSA-N
Reference
Athrotaxis alkaloids. Part I. Alkaloids of A. Cupressoides
PubChem CID: 162934996
LOTUS: LTS0126683
COCONUT: CNP0205054.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Athrotaxis cupressoides | Athrotaxis | Cupressaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
| Athrotaxis selaginoides | Athrotaxis | Cupressaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.4490000000001
TPSA？: 68.23
MolLogP？: 2.524800000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|