3′-Hydroxy-N-Methylcoclaurine
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3′-Hydroxy-N-Methylcoclaurine
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CAS No:
1936-17-0
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Formula:
C18H21NO4
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Chemical Name:
3′-Hydroxy-N-Methylcoclaurine
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Synonyms:
1,2-Benzenediol,4-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]-;Reticuline,O4′-demethyl-;1,2-Benzenediol,4-[(1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl]-,(S)-;4-[[(1S)-1,2,3,4-Tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]-1,2-benzenediol;(S)-6-O-Methyllaudanosoline;N-Methyl-3′-hydroxycoclaurine;3′-Hydroxy-N-Methylcoclaurine;(S)-3′-Hydroxy-N-methylcoclaurine
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CAS No:
Description
Solid
(S)-3'-hydroxy-N-methylcoclaurine is an isoquinoline alkaloid having a tetrahydroisoquinoline core with 3,4-dihydroxybenzyl, methoxy and hydroxy groups at the 1-, 6- and 7-positions respectively; major species at pH 7.3. It has a role as a mouse metabolite. It is an isoquinoline alkaloid and a member of isoquinolines. It derives from a coclaurine. It is a conjugate base of a (S)-3'-hydroxy-N-methylcoclaurinium(1+).
Computed Properties
Molecular Weight:315.4
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:315.14705815
Monoisotopic Mass:315.14705815
Topological Polar Surface Area:73.2
Heavy Atom Count:23
Complexity:393
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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