Fumaricine; (-)-form, Ac

AlkaPlorer ID: AK298769

Synonym: O-Methylfumarophycine 

IUPAC Name: (6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl) acetate

Structure

SMILES: COC1=CC2=C(C=C1OC)C1(CC3=CC=C4OCOC4=C3C1OC(C)=O)N(C)CC2

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InChI: InChI=1S/C23H25NO6/c1-13(25)30-22-20-15(5-6-17-21(20)29-12-28-17)11-23(22)16-10-19(27-4)18(26-3)9-14(16)7-8-24(23)2/h5-6,9-10,22H,7-8,11-12H2,1-4H3

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InChIKey: HTLXWDJBTOCUFB-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 411.4540000000002

TPSA: 66.46000000000001

MolLogP: 2.9762000000000013

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information