Decaline
AlkaPlorer ID: AK043375
Synonym: '', 'Decaline'
IUPAC Name: (9S,15R,17S)-5,6-dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@H]1C[C@H](C[C@H]3CCCCN31)OC(=O)CCC1=CC=C(C=C1)O2
InChI: InChI=1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20+,22+/m1/s1
InChIKey: PXXNTAGJWPJAGM-CBQOVEMMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Decodon verticillatus | Decodon | Lythraceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 437.5360000000002
TPSA？: 57.23
MolLogP？: 5.043500000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|