Cochinchistemonine; 12-Ketone

AlkaPlorer ID: AK292741

Synonym: Cochinchistemoninone

IUPAC Name: 6-hydroxy-11-(1-hydroxypropyl)-4'-methoxy-3,3'-dimethylspiro[10-azatricyclo[8.4.0.02,6]tetradecane-5,5'-furan]-2',4-dione

Structure

SMILES: CCC(O)C1CCCC2C3C(C)C(=O)C4(OC(=O)C(C)=C4OC)C3(O)CCCN12

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InChI: InChI=1S/C22H33NO6/c1-5-16(24)14-8-6-9-15-17-12(2)18(25)22(19(28-4)13(3)20(26)29-22)21(17,27)10-7-11-23(14)15/h12,14-17,24,27H,5-11H2,1-4H3

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InChIKey: NHHXDROLDZLFAJ-UHFFFAOYSA-N

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Reference

PubChem CID: 74071158

COCONUT: CNP0235288.1

Source

Properties Information

Molecule Weight: 407.5070000000002

TPSA: 96.3

MolLogP: 1.5562999999999998

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information