Imerubrine

AlkaPlorer ID: AK014207

Synonym: '', 'Imerubrine'

IUPAC Name: 5,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one

Structure

SMILES: COC1=C(OC)C2=C3C(=NC=C2)C2=CC(=O)C(OC)=CC=C2C3=C1OC

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InChI: InChI=1S/C20H17NO5/c1-23-14-6-5-10-12(9-13(14)22)17-15-11(7-8-21-17)18(24-2)20(26-4)19(25-3)16(10)15/h5-9H,1-4H3

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InChIKey: UNLMKMRFVJZAEV-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 351.35800000000006

TPSA: 66.88000000000001

MolLogP: 3.276800000000001

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information