Protopine; 8-Oxo

AlkaPlorer ID: AK195290

Synonym: Leptocarpine, Alkaloid HL1, 8-Oxoprotopine

IUPAC Name: 15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaene-3,16-dione

Structure

SMILES: CN1CCC2=CC3=C(C=C2C(=O)CC2=CC=C4OCOC4=C2C1=O)OCO3

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InChI: InChI=1S/C20H17NO6/c1-21-5-4-11-7-16-17(26-9-25-16)8-13(11)14(22)6-12-2-3-15-19(27-10-24-15)18(12)20(21)23/h2-3,7-8H,4-6,9-10H2,1H3

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InChIKey: HFBBUUABESBUKH-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 367.35700000000014

TPSA: 74.30000000000001

MolLogP: 2.1975

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information