(S)-codamine (CHEBI:145336)

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ChEBI Name	(S)-codamine

ChEBI ID	CHEBI:145336

ChEBI ASCII Name	(S)-codamine

Definition	A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinolin-7-ol which is substituted by 3,4-dimethoxybenzyl, methyl, and methoxy groups at positions 1, 2, and 6, respectively (the 1S enantiomer).

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C20H25NO4

Net Charge

Average Mass

343.423

Monoisotopic Mass

343.17836

InChI

InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1

InChIKey

OKORHWXYDBSYNO-INIZCTEOSA-N

SMILES

N1([C@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)OC)OC)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	(S)-codamine (CHEBI:145336) is a aromatic ether (CHEBI:35618) (S)-codamine (CHEBI:145336) is a benzylisoquinoline alkaloid (CHEBI:22750) (S)-codamine (CHEBI:145336) is a benzyltetrahydroisoquinoline (CHEBI:26901) (S)-codamine (CHEBI:145336) is a phenols (CHEBI:33853) (S)-codamine (CHEBI:145336) is a tertiary amino compound (CHEBI:50996) (S)-codamine (CHEBI:145336) is conjugate base of (S)-codamine(1+) (CHEBI:143148)

Incoming	(S)-codamine(1+) (CHEBI:143148) is conjugate acid of (S)-codamine (CHEBI:145336)

IUPAC Name

(1S)-1-(3,4-dimethoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

Synonyms	Sources
(+)-codamine	KNApSAcK
(S)-(+)-codamine	KNApSAcK
(S)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methylisoquinolin-7-ol	ChemIDplus
7-desmethyllaudanosine	ChEBI
codamine	ChemIDplus
L-(+)-codamine	KNApSAcK

Registry Number	Type	Source
21040-59-5	CAS Registry Number	ChemIDplus

Last Modified

11 November 2019