Penazaphilone I

AlkaPlorer ID: AK326702

Synonym: None

IUPAC Name: 4-[(7S)-7-acetyloxy-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

Structure

SMILES: CC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O

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InChI: InChI=1S/C25H30ClNO6/c1-6-15(2)12-16(3)9-10-18-13-19-20(14-27(18)11-7-8-21(29)30)23(31)25(5,33-17(4)28)24(32)22(19)26/h9-10,12-15H,6-8,11H2,1-5H3,(H,29,30)/t15-,25-/m0/s1

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InChIKey: SAMXBYLRDCRTCV-MQNRADLISA-N

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Source

Properties Information

Molecule Weight: 475.96900000000034

TPSA: 100.98

MolLogP: 4.449700000000004

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information