Dinklageine

AlkaPlorer ID: AK296693

Synonym: None

IUPAC Name: methyl 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-1-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine-4-carboxylate

Structure

SMILES: COC(=O)C1=CN(CCC2=CC=C(O)C=C2)C(=O)C2C1CC(O)C2C

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InChI: InChI=1S/C19H23NO5/c1-11-16(22)9-14-15(19(24)25-2)10-20(18(23)17(11)14)8-7-12-3-5-13(21)6-4-12/h3-6,10-11,14,16-17,21-22H,7-9H2,1-2H3

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InChIKey: QAUCSANHJLYHKL-UHFFFAOYSA-N

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Reference

PubChem CID: 354594

CAS: 91668-36-9

COCONUT: CNP0305893.1

Source

Properties Information

Molecule Weight: 345.3950000000001

TPSA: 87.07000000000001

MolLogP: 1.4669

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information