1,2-Dihydroxyaporphine; (R)-form, O1-Me, N-de-Me, O-β-D-glucopyranoside 

AlkaPlorer ID: AK296023

Synonym: Asimilobine 2-glucoside

IUPAC Name: 2-(hydroxymethyl)-6-[(1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl)oxy]oxane-3,4,5-triol

Structure

SMILES: COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2CCNC3CC4=CC=CC=C4C1=C23

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InChI: InChI=1S/C23H27NO7/c1-29-22-15(30-23-21(28)20(27)19(26)16(10-25)31-23)9-12-6-7-24-14-8-11-4-2-3-5-13(11)18(22)17(12)14/h2-5,9,14,16,19-21,23-28H,6-8,10H2,1H3

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InChIKey: PPZMUQMLULQLGP-UHFFFAOYSA-N

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Reference

PubChem CID: 78178205

COCONUT: CNP0207698.1

Source

Properties Information

Molecule Weight: 429.4690000000003

TPSA: 120.64

MolLogP: 0.2838000000000007

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information