Orientaline; (S)-form, N-De-Me 

AlkaPlorer ID: AK308711

Synonym: N-Nororientaline 

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

Structure

SMILES: COC1=CC(CC2NCCC3=CC(OC)=C(O)C=C32)=CC=C1O

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InChI: InChI=1S/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3

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InChIKey: WQTCGADWPORGNB-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 315.369

TPSA: 70.95

MolLogP: 2.5445000000000007

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011634 COc1cc2c(cc1O)C(Cc1ccc(O)c(O)c1)NCC2.C[SAH]>>COc1cc(CC2NCCc3cc(OC)c(O)cc32)ccc1O enzymemap_25803