Ochrobirine; (+)-form, N-De-Me, O8-Ac 

AlkaPlorer ID: AK308367

Synonym: Lederine

IUPAC Name: (6-hydroxyspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-8-yl) acetate

Structure

SMILES: CC(=O)OC1C2=C3OCOC3=CC=C2C(O)C12NCCC1=CC3=C(C=C12)OCO3

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InChI: InChI=1S/C21H19NO7/c1-10(23)29-20-17-12(2-3-14-18(17)28-9-25-14)19(24)21(20)13-7-16-15(26-8-27-16)6-11(13)4-5-22-21/h2-3,6-7,19-20,22,24H,4-5,8-9H2,1H3

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InChIKey: YAEIVKRDRYGJRD-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 397.38300000000027

TPSA: 95.48000000000002

MolLogP: 1.8364

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information