2'-(1-hydroxyethyl)-4'-methyl-1,2-dihydro-9'-oxa-4'-azaspiro[indole-3,7'-tetracyclo[6.3.1.0²,⁶.0⁵,¹¹]dodecan]-2-one
AlkaPlorer ID: AK319700
Synonym: None
IUPAC Name: 2'-(1-hydroxyethyl)-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
Structure
SMILES: CC(O)C12CN(C)C3C4COC(CC41)C1(C(O)=NC4=CC=CC=C41)C32
InChI: InChI=1S/C20H24N2O3/c1-10(23)19-9-22(2)16-11-8-25-15(7-13(11)19)20(17(16)19)12-5-3-4-6-14(12)21-18(20)24/h3-6,10-11,13,15-17,23H,7-9H2,1-2H3,(H,21,24)
InChIKey: JDFOFHZAWHYLEB-UHFFFAOYSA-N
Reference
Three oxindole alkaloids from Gelsemium species
PubChem CID: 5318191
LOTUS: LTS0037712
NPASS: NPC287165
COCONUT: CNP0303386.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aquilaria agallochum | Aquilaria | Thymelaeaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gelsemium elegans | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.42300000000006
TPSA？: 65.29
MolLogP？: 1.8719
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|