Shaheenine
AlkaPlorer ID: AK179757
Synonym: '(+)-Shaheenine'
IUPAC Name: (1R,17S)-5,6-dihydroxy-17-methoxy-10-azatetracyclo[8.8.0.01,14.03,8]octadeca-3,5,7,14-tetraen-9-one
Structure
SMILES: CO[C@H]1CC=C2CCCN3C(=O)C4=CC(O)=C(O)C=C4C[C@@]23C1
InChI: InChI=1S/C18H21NO4/c1-23-13-5-4-12-3-2-6-19-17(22)14-8-16(21)15(20)7-11(14)9-18(12,19)10-13/h4,7-8,13,20-21H,2-3,5-6,9-10H2,1H3/t13-,18+/m0/s1
InChIKey: WXHIBTLDYRFPKW-SCLBCKFNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cocculus hirsutus | Cocculus | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 315.36900000000014
TPSA？: 70.0
MolLogP？: 2.3639
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|