Serratoline; 13-Oxo

AlkaPlorer ID: AK313442

Synonym: Triabunnine

IUPAC Name: 10-hydroxy-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2,4,6,8-tetraen-16-one

Structure

SMILES: CC1(C)NC2CC3(O)C(=NC4=CC=CC=C43)C3(C)CCC1C(=O)C23

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InChI: InChI=1S/C20H24N2O2/c1-18(2)12-8-9-19(3)15(16(12)23)14(22-18)10-20(24)11-6-4-5-7-13(11)21-17(19)20/h4-7,12,14-15,22,24H,8-10H2,1-3H3

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InChIKey: NPPCHINYJBDWMZ-UHFFFAOYSA-N

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Reference

PubChem CID: 162992750

COCONUT: CNP0265795.1

Source

Properties Information

Molecule Weight: 324.4240000000001

TPSA: 61.69

MolLogP: 2.716000000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information