Apersitin

AlkaPlorer ID: AK074055

Synonym: None

IUPAC Name: (6R)-5-amino-6-hydroxy-3-methoxy-2,6-dimethyl-4-[(2R)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one

Structure

SMILES: CC[C@@H](C)C(=O)C1=C(N)[C@@](C)(O)C(=O)C(C)=C1OC

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InChI: InChI=1S/C14H21NO4/c1-6-7(2)10(16)9-11(19-5)8(3)13(17)14(4,18)12(9)15/h7,18H,6,15H2,1-5H3/t7-,14-/m1/s1

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InChIKey: UYJPMNCMOPWWNM-NXSYQRQQSA-N

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Properties Information

Molecule Weight: 267.325

TPSA: 89.62000000000002

MolLogP: 1.0685

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information