Apparicine; (S)-form, 16R-Hydroxy, 16,22-dihydro
AlkaPlorer ID: AK289048
Synonym: 16,22-Dihydro-16-hydroxyapparicine
IUPAC Name: (14E)-14-ethylidene-12-methyl-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-ol
Structure
SMILES: C/C=C1/CN2CCC1C(C)(O)C1=C(C2)C2=CC=CC=C2N1
InChI: InChI=1S/C18H22N2O/c1-3-12-10-20-9-8-15(12)18(2,21)17-14(11-20)13-6-4-5-7-16(13)19-17/h3-7,15,19,21H,8-11H2,1-2H3/b12-3-
InChIKey: PZYMRTAVKVZYMI-BASWHVEKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tabernaemontana elegans | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 282.387
TPSA？: 39.26
MolLogP？: 3.1572000000000013
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|