Lutessine

AlkaPlorer ID: AK203502

Synonym: 'Ungiminorine 1-acetate'

IUPAC Name: [(1S,16R,17S,18S,19S)-16-hydroxy-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,14-tetraen-18-yl] acetate

Structure

SMILES: CO[C@@H]1[C@@H](OC(C)=O)[C@H]2C3=CC4=C(C=C3CN3CC=C([C@H]1O)[C@H]23)OCO4

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InChI: InChI=1S/C19H21NO6/c1-9(21)26-18-15-12-6-14-13(24-8-25-14)5-10(12)7-20-4-3-11(16(15)20)17(22)19(18)23-2/h3,5-6,15-19,22H,4,7-8H2,1-2H3/t15-,16+,17+,18-,19-/m0/s1

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InChIKey: MOWAHCOFZKJVJP-JKEDJMADSA-N

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Source

Properties Information

Molecule Weight: 359.3780000000001

TPSA: 77.46000000000001

MolLogP: 0.9443

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information