Narceine; 8-Demethoxy, Me ester

AlkaPlorer ID: AK256455

Synonym: N-Methylhydrasteine methyl ester 

IUPAC Name: methyl 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate

Structure

SMILES: COC(=O)C1=C(C(=O)CC2=CC3=C(C=C2CCN(C)C)OCO3)C=CC(OC)=C1OC

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InChI: InChI=1S/C23H27NO7/c1-24(2)9-8-14-11-19-20(31-13-30-19)12-15(14)10-17(25)16-6-7-18(27-3)22(28-4)21(16)23(26)29-5/h6-7,11-12H,8-10,13H2,1-5H3

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InChIKey: BVNJWCFAMUHSNK-UHFFFAOYSA-N

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Reference

PubChem CID: 322367

CAS: 80243-94-3

SuperNatural Ⅲ: SN0036624

COCONUT: CNP0355530

Source

Properties Information

Molecule Weight: 429.4690000000002

TPSA: 83.53000000000002

MolLogP: 2.7486000000000006

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information