4-Hydroxy-3-methoxyphenethylamine; N-(4-Hydroxy-3-methoxy-E-cinnamoyl), 4-O-β-D-glucopyranoside 

AlkaPlorer ID: AK301388

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1=CC(/C=C/C(=O)NCCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2)=CC=C1O

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InChI: InChI=1S/C25H31NO10/c1-33-18-11-14(3-6-16(18)28)5-8-21(29)26-10-9-15-4-7-17(19(12-15)34-2)35-25-24(32)23(31)22(30)20(13-27)36-25/h3-8,11-12,20,22-25,27-28,30-32H,9-10,13H2,1-2H3,(H,26,29)/b8-5+

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InChIKey: BWMIWLZMPFTAHZ-VMPITWQZSA-N

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Reference

CAS: 1402080-13-0

Source

Properties Information

Molecule Weight: 505.52000000000015

TPSA: 167.17

MolLogP: -0.0397999999999995

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information