Sternbergine
AlkaPlorer ID: AK011810
Synonym: ''
IUPAC Name: [(1S,14S,15S,16S)-5,14-dihydroxy-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-yl] acetate
Structure
SMILES: COC1=CC2=C(C=C1O)CN1CCC3=C[C@H](O)[C@@H](OC(C)=O)[C@@H]2[C@@H]31
InChI: InChI=1S/C18H21NO5/c1-9(20)24-18-14(22)5-10-3-4-19-8-11-6-13(21)15(23-2)7-12(11)16(18)17(10)19/h5-7,14,16-18,21-22H,3-4,8H2,1-2H3/t14-,16-,17+,18+/m0/s1
InChIKey: JKXPUEOBLNILSU-DZJNRPSUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sternbergia lutea | Sternbergia | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.36800000000005
TPSA？: 79.23000000000002
MolLogP？: 1.3049
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|