(3aS,8aR)-8a-[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-2H,3H,8H-furo[2,3-b]indol-3a-ol
AlkaPlorer ID: AK027047
Synonym: None
IUPAC Name: (3aR,8bS)-3a-[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol
Structure
SMILES: CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@]12NC3=CC=CC=C3[C@@]1(O)CCO2
InChI: InChI=1S/C19H26N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h3-6,13-14,17,20,22H,2,7-12H2,1H3/t13-,14+,17+,18-,19+/m0/s1
InChIKey: HJCHMEIRSLPQPH-JCZGSWPSSA-N
Reference
Constituents of Isertia hypoleuca benth. (Rubiaceae)—I
PubChem CID: 162942782
LOTUS: LTS0030351
SuperNatural Ⅲ: SN0127043-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isertia hypoleuca | Isertia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 314.42900000000014
TPSA？: 44.73
MolLogP？: 2.5367000000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|