Nivelactam

AlkaPlorer ID: AK307971

Synonym: None

IUPAC Name: 18-hex-2-enyl-20,21-dihydroxy-2,11-dimethyl-8-oxa-17-azatetracyclo[13.6.0.04,10.07,9]henicosa-2,5,11,13-tetraen-16-one

Structure

SMILES: CCCC=CCC1CC(O)C(O)C2C(C)=CC3C=CC4OC4C3C(C)=CC=CC2C(=O)N1

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InChI: InChI=1S/C27H37NO4/c1-4-5-6-7-10-19-15-21(29)25(30)24-17(3)14-18-12-13-22-26(32-22)23(18)16(2)9-8-11-20(24)27(31)28-19/h6-9,11-14,18-26,29-30H,4-5,10,15H2,1-3H3,(H,28,31)

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InChIKey: RBIPMDRSTBQXSJ-UHFFFAOYSA-N

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Reference

PubChem CID: 163161183

COCONUT: CNP0464796.2

Source

Properties Information

Molecule Weight: 439.5960000000002

TPSA: 82.09

MolLogP: 3.6075000000000026

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information