8-ethoxy-11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-4-ol
AlkaPlorer ID: AK128095
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-8-ethoxy-11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol
Structure
SMILES: CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3O)[C@@]13[C@@H](OC)CC[C@@]4(CO)CN(CC)[C@@H]1[C@@H]2C[C@H]43
InChI: InChI=1S/C25H41NO5/c1-5-26-12-23(13-27)8-7-19(30-4)25-15-9-14-17(29-3)11-24(31-6-2,20(15)21(14)28)16(22(25)26)10-18(23)25/h14-22,27-28H,5-13H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25-/m1/s1
InChIKey: QPXZQBCIQBOHBF-YNLINXDKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erica australis | Erica | Ericaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Pinus mugo | Pinus | Pinaceae | Pinales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.6050000000003
TPSA？: 71.39
MolLogP？: 1.9213
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|