Convolvine; 5'-Methoxy

AlkaPlorer ID: AK292951

Synonym: 3α-(3,4,5-Trimethoxybenzoyloxy)nortropane

IUPAC Name: 8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate

Structure

SMILES: COC1=CC(C(=O)OC2CC3CCC(C2)N3)=CC(OC)=C1OC

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InChI: InChI=1S/C17H23NO5/c1-20-14-6-10(7-15(21-2)16(14)22-3)17(19)23-13-8-11-4-5-12(9-13)18-11/h6-7,11-13,18H,4-5,8-9H2,1-3H3

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InChIKey: MHMGNLHYGAYVJJ-UHFFFAOYSA-N

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Reference

PubChem CID: 13855870

CAS: 111509-21-8

COCONUT: CNP0193045.2

Properties Information

Molecule Weight: 321.37300000000005

TPSA: 66.02000000000001

MolLogP: 2.1522

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information