Lavanducyanin

AlkaPlorer ID: AK018801

Synonym: 'Lavanducyanin', 'YP 02978L-C', 'WS 9659A'

IUPAC Name: 5-[(2,4,4-trimethylcyclohexen-1-yl)methyl]phenazin-1-one

Structure

SMILES: CC1=C(CN2C3=CC=CC(=O)C3=NC3=CC=CC=C32)CCC(C)(C)C1

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InChI: InChI=1S/C22H24N2O/c1-15-13-22(2,3)12-11-16(15)14-24-18-8-5-4-7-17(18)23-21-19(24)9-6-10-20(21)25/h4-10H,11-14H2,1-3H3

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InChIKey: AMQJGKJHNQVSQU-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 332.4470000000002

TPSA: 34.89

MolLogP: 5.027900000000004

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information