Holidine; Parent acid, amide

AlkaPlorer ID: AK214844

Synonym: Phellinamide

IUPAC Name: 17-methoxy-5,11-diazatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-4-carboxamide

Structure

SMILES: COC1CC=C2CCN3CCCC4=CN=C(C(N)=O)C=C4C23C1

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InChI: InChI=1S/C18H23N3O2/c1-23-14-5-4-13-6-8-21-7-2-3-12-11-20-16(17(19)22)9-15(12)18(13,21)10-14/h4,9,11,14H,2-3,5-8,10H2,1H3,(H2,19,22)

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InChIKey: AEADEKCFIKLYRM-UHFFFAOYSA-N

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Reference

PubChem CID: 14081844

COCONUT: CNP0226680

Properties Information

Molecule Weight: 313.40100000000007

TPSA: 68.44999999999999

MolLogP: 1.7629

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information