Graciline

AlkaPlorer ID: AK299621

Synonym: None

IUPAC Name: 20-methyl-5,7,12-trioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,14,16-pentaene

Structure

SMILES: CN1CCC23C=CC=CC12OCC1=CC2=C(C=C13)OCO2

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InChI: InChI=1S/C17H17NO3/c1-18-7-6-16-4-2-3-5-17(16,18)21-10-12-8-14-15(9-13(12)16)20-11-19-14/h2-5,8-9H,6-7,10-11H2,1H3

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InChIKey: RNJJBZZQIWQIAQ-UHFFFAOYSA-N

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Reference

PubChem CID: 162901179

CAS: 216444-04-1

COCONUT: CNP0169264.1

Source

Properties Information

Molecule Weight: 283.327

TPSA: 30.930000000000003

MolLogP: 2.3411

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information