(2S,3R,4S,5S,6R)-2-(5-hydroxy-2-{[(1R)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-4-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

AlkaPlorer ID: AK252567

Synonym: None

IUPAC Name: (2S,3R,4S,5S,6R)-2-[5-hydroxy-2-[[(1R)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: COC1=CC(C[C@@H]2C3=CC(OC)=C(O)C=C3CCN2C)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O

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InChI: InChI=1S/C25H33NO10/c1-26-5-4-12-7-16(28)20(34-3)9-14(12)15(26)6-13-8-19(33-2)17(29)10-18(13)35-25-24(32)23(31)22(30)21(11-27)36-25/h7-10,15,21-25,27-32H,4-6,11H2,1-3H3/t15-,21-,22-,23+,24-,25-/m1/s1

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InChIKey: PLIJOIRCBAAYMI-QFOLFEKZSA-N

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Source

Properties Information

Molecule Weight: 507.5360000000002

TPSA: 161.54

MolLogP: 0.0653999999999994

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information