Higenamine; (R)-form, O7-Me 

AlkaPlorer ID: AK300409

Synonym: Isococlaurine

IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol

Structure

SMILES: COC1=CC2=C(C=C1O)CCNC2CC1=CC=C(O)C=C1

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InChI: InChI=1S/C17H19NO3/c1-21-17-10-14-12(9-16(17)20)6-7-18-15(14)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3

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InChIKey: HDQFMSLXNCGZDJ-UHFFFAOYSA-N

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Reference

PubChem CID: 601299

CAS: 574-75-4

COCONUT: CNP0131902.2

data_source: manually

Source

Properties Information

Molecule Weight: 285.343

TPSA: 61.72

MolLogP: 2.5359000000000007

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT023698 O=CCc1ccc(O)cc1.COc1ccc(CCN)cc1O>>COc1cc2c(cc1O)CCNC2Cc1ccc(O)cc1 retrobiocat_973