Obesine

AlkaPlorer ID: AK308314

Synonym: None

IUPAC Name: 2,7,9-trioxa-20-azapentacyclo[12.4.2.01,13.04,12.06,10]icosa-4,6(10),11,17-tetraen-16-ol

Structure

SMILES: OC1C=CC23CNC(C1)C2C1=CC2=C(C=C1CO3)OCO2

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InChI: InChI=1S/C16H17NO4/c18-10-1-2-16-7-17-12(4-10)15(16)11-5-14-13(19-8-20-14)3-9(11)6-21-16/h1-3,5,10,12,15,17-18H,4,6-8H2

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InChIKey: AUGQPLAOPNRANZ-UHFFFAOYSA-N

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Reference

PubChem CID: 22298003

COCONUT: CNP0313801.1

Source

Properties Information

Molecule Weight: 287.31500000000005

TPSA: 59.95

MolLogP: 1.0605

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information