Penazaphilone C

AlkaPlorer ID: AK326705

Synonym: None

IUPAC Name: [(7S)-5-chloro-3-[(5R,6R)-6-hydroxy-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate

Structure

SMILES: CC(=O)O[C@@]1(C)C(=O)C2=CN(CCO)C(C=CC(C)=C[C@@H](C)[C@@H](C)O)=CC2=C(Cl)C1=O

copy

InChI: InChI=1S/C23H28ClNO6/c1-13(10-14(2)15(3)27)6-7-17-11-18-19(12-25(17)8-9-26)21(29)23(5,31-16(4)28)22(30)20(18)24/h6-7,10-12,14-15,26-27H,8-9H2,1-5H3/t14-,15-,23+/m1/s1

copy

InChIKey: DEJPZRICRUJCQX-WBPRFABPSA-N

copy

Source

Properties Information

Molecule Weight: 449.9310000000002

TPSA: 104.14

MolLogP: 2.548000000000001

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information