2-(9-Adeninyl)-9-(3-hydroxy-5-methoxyphenyl)-4-nonanone; (+)-form

AlkaPlorer ID: AK283277

Synonym: Adeninealkylresorcinol

IUPAC Name: None

Structure

SMILES: COC1=CC(CCCCCC(=O)CC(C)N2C=NC3=C(N)N=CN=C32)=CC(O)=C1

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InChI: InChI=1S/C21H27N5O3/c1-14(26-13-25-19-20(22)23-12-24-21(19)26)8-16(27)7-5-3-4-6-15-9-17(28)11-18(10-15)29-2/h9-14,28H,3-8H2,1-2H3,(H2,22,23,24)

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InChIKey: DWIGGRCLBNNMEG-UHFFFAOYSA-N

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Reference

CAS: 2185037-16-3

Source

Properties Information

Molecule Weight: 397.47900000000016

TPSA: 116.15

MolLogP: 3.446000000000001

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information