Ovigerine; (S)-form, 3-Methoxy 

AlkaPlorer ID: AK308810

Synonym: Oduocine

IUPAC Name: 17-methoxy-4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(22),2(10),3(7),8,16(23),17-hexaene

Structure

SMILES: COC1=C2CCNC3CC4=CC=C5OCOC5=C4C(=C23)C2=C1OCO2

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InChI: InChI=1S/C19H17NO5/c1-21-16-10-4-5-20-11-6-9-2-3-12-17(23-7-22-12)13(9)15(14(10)11)18-19(16)25-8-24-18/h2-3,11,20H,4-8H2,1H3

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InChIKey: LEYRJEJIXVQDRI-UHFFFAOYSA-N

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Reference

PubChem CID: 162903239

CAS: 155944-21-1

COCONUT: CNP0171487.1

Properties Information

Molecule Weight: 339.3470000000001

TPSA: 58.18000000000001

MolLogP: 2.562500000000001

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information