Amycocyclopiazonic acid

AlkaPlorer ID: AK033243

Synonym: None

IUPAC Name: (2R,3R,4R,9R)-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraen-6-one

Structure

SMILES: CC1(C)[C@@H]2CC3=CC=CC4=C3C(=CN4)[C@@H]2[C@@H]2[C@H](O)CC(=O)N21

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InChI: InChI=1S/C18H20N2O2/c1-18(2)11-6-9-4-3-5-12-15(9)10(8-19-12)16(11)17-13(21)7-14(22)20(17)18/h3-5,8,11,13,16-17,19,21H,6-7H2,1-2H3/t11-,13-,16+,17+/m1/s1

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InChIKey: SMXNLCYMHFJNLF-AQMVCYDESA-N

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Source

Properties Information

Molecule Weight: 296.37000000000006

TPSA: 56.33

MolLogP: 2.1777999999999995

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information