2-[(4aS,9aR)-4aH,9H,9aH-pyrido[3,4-b]indol-1-yl]ethanol
AlkaPlorer ID: AK542393
Synonym: None
IUPAC Name: 2-(9,9a-dihydro-4aH-pyrido[3,4-b]indol-1-yl)ethanol
Structure
SMILES: OCCC1=NC=CC2C3=CC=CC=C3NC12
InChI: InChI=1S/C13H14N2O/c16-8-6-12-13-10(5-7-14-12)9-3-1-2-4-11(9)15-13/h1-5,7,10,13,15-16H,6,8H2
InChIKey: UWNSNYRZIMSDHY-UHFFFAOYSA-N
Reference
Alkaloids and quassinoids of Brucea mollis var. tonkinensis
PubChem CID: 162927167
LOTUS: LTS0116614
COCONUT: CNP0196956.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brucea mollis | Brucea | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 214.26800000000003
TPSA？: 44.620000000000005
MolLogP？: 1.915
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|