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(R)-N-methylcoclaurine

AlkaPlorer ID: AK019870

Synonym: '(R)-N-Methylcoclaurine', '(S)-N-methylcoclaurine', 'N-Methylcoclaurine', '(R)-1,2,3,4-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol', '(S)-1,2,3,4-Tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol', '(-)-N-Methylcoclaurine', '(+)-N-Methylcoclaurine', '(S)-1,2,3,4-tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol', '(R)-1,2,3,4-tetrahydro-1-(4-hydroxyphenyl)methyl-6-methoxy-2-methyl-7-isoquinolinol', '(R)-N-methylcoclaurine', '(+)-(S)-N-Methylcoclaurine', '(S)-N-Methylcoclaurine'

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

Structure

SMILES: COC1=C(O)C=C2C(=C1)CC[NH+](C)[C@@H]2CC1=CC=C(O)C=C1

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InChI: InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/p+1/t16-/m1/s1

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InChIKey: BOKVLBSSPUTWLV-MRXNPFEDSA-O

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Musca autumnalis Musca Muscidae Diptera Insecta Arthropoda Metazoa Eukaryota
Paronychia argentea Paronychia Caryophyllaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cercidiphyllum japonicum Cercidiphyllum Cercidiphyllaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prunus humilis Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nelumbo nucifera Nelumbo Nelumbonaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Diplocarpon mali Diplocarpon Drepanopezizaceae Helotiales Leotiomycetes Ascomycota Fungi Eukaryota
Rhizopogon roseolus Rhizopogon Rhizopogonaceae Boletales Agaricomycetes Basidiomycota Fungi Eukaryota
Solanum lasiocarpum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Erythrina mildbraedii Erythrina Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Caulerpa taxifolia Caulerpa Caulerpaceae Bryopsidales Ulvophyceae Chlorophyta Viridiplantae Eukaryota
Magnolia obovata Magnolia Magnoliaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Meiothermus ruber Meiothermus Thermaceae Thermales Deinococci Deinococcota None Bacteria
Phoenix dactylifera Phoenix Arecaceae Arecales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sophora tetraptera Sophora Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Magnolia officinalis Magnolia Magnoliaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aglaia odorata Aglaia Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 300.378

TPSA？: 54.13

MolLogP？: 1.4609999999999996

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011648 COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2.COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2>>COc1cc2c(cc1O)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(O)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2 RXN-8702
AKRT011649 COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2.COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)N(C)CC2>>COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(O)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2 R04694
AKRT011650 COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2.COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)NCC2>>COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(O)c(OC)cc5CCN4C)ccc3O)cc1)NCC2 R05210
AKRT011651 COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)NCC2.C[33S]>>COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2 None
AKRT011652 COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)NCC2.C[SAH]>>COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2 enzymemap_25902
AKRT011680 COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(O)c(OC)cc5CCN4C)ccc3O)cc1)NCC2>>COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2 MNXR149171