4-[(5S)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl]benzene-1,2-diol
AlkaPlorer ID: AK267767
Synonym: None
IUPAC Name: 4-[[(5S)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzene-1,2-diol
Structure
SMILES: OC1=CC=C(C[C@@H]2NCCC3=CC4=C(C=C32)OCO4)C=C1O
InChI: InChI=1S/C17H17NO4/c19-14-2-1-10(6-15(14)20)5-13-12-8-17-16(21-9-22-17)7-11(12)3-4-18-13/h1-2,6-8,13,18-20H,3-5,9H2/t13-/m0/s1
InChIKey: DKKKVRUOOKYQSH-ZDUSSCGKSA-N
Reference
Aporphine and tetrahydrobenzylisoquinoline alkaloids in Sassafras albidum
PubChem CID: 163000486
LOTUS: LTS0077549
SuperNatural Ⅲ: SN0068154-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sassafras albidum | Sassafras | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 299.326
TPSA？: 70.95
MolLogP？: 2.2560000000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|